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Nils Herrmann & Michael Hanrath. (2022) Analysis of different sets of spin-adapted substitution operators in open-shell coupled cluster theory. Molecular Physics 120:5.
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Dibyajyoti Chakravarti, Sangita Sen & Debashis Mukherjee. (2021) Reappraisal of the normal ordered Jeziorski-Monkhorst ansatz in the UGA-OSCC theory for a study of IP, EA and EE. Molecular Physics 119:21-22.
Read now
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Marvin H. Lechner, Róbert Izsák, Marcel Nooijen & Frank Neese. (2021) A perturbative approach to multireference equation-of-motion coupled cluster. Molecular Physics 119:21-22.
Read now
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Koichi Miyagawa, Mitsuo Shoji, Hiroshi Isobe, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura & Kizashi Yamaguchi. (2020) Theory of chemical bonds in metalloenzymes XXIV electronic and spin structures of FeMoco and Fe-S clusters by classical and quantum computing. Molecular Physics 118:21-22.
Read now
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Andreas Köhn, Joshua A. Black, Yuri A. Aoto & Matthias Hanauer. (2020) Improved and simplified orthogonalisation scheme and connected triples correction within the internally contracted multireference coupled-cluster method. Molecular Physics 118:21-22.
Read now
Read now
Amitava Sharma, Sudip Chattopadhyay & Dhiman Sinha. (2020) Exploring the spectroscopic constants of , (main and a satellite) and states of N ion using the Fock-space coupled-cluster with eigenvalue independent partitioning. Molecular Physics 118:19-20.
Read now
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K. Miyagawa, T. Kawakami, Y. Suzuki, H. Isobe, M. Shoji, S. Yamanaka, M. Okumura, T. Nakajima & K. Yamaguchi. (2020) Domain-based local pair natural orbital CCSD(T) calculations of strongly correlated electron systems: Examination of dynamic equilibrium models based on multiple intermediates in S1 state of photosystem II. Molecular Physics 118:12.
Read now
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Yuhong Liu & Anthony D. Dutoi. (2019) Excitonically renormalised coupled-cluster theory. Molecular Physics 117:4, pages 446-461.
Read now
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Debarati Bhattacharya, Achintya Kumar Dutta, Jitendra Gupta & Sourav Pal. (2015) Perturbative order analysis of the similarity transformed Hamiltonian in Fock-space coupled cluster theory: difference energy and electric response properties. Molecular Physics 113:13-14, pages 2046-2060.
Read now
Read now
Sangita Sen, Avijit Shee & Debashis Mukherjee. (2013) A study of the ionisation and excitation energies of core electrons using a unitary group adapted state universal approach. Molecular Physics 111:16-17, pages 2625-2639.
Read now
Read now
Bogumil Jeziorski. (2010) Multireference coupled-cluster Ansatz. Molecular Physics 108:21-23, pages 3043-3054.
Read now
Read now
Satomichi Nishihara, Toru Saito, Shusuke Yamanaka, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura & Kizashi Yamaguchi. (2010) MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions. Molecular Physics 108:19-20, pages 2559-2578.
Read now
Read now
Anna Engels-Putzka & Michael Hanrath. (2009) Dissociating N2: a multi-reference coupled cluster study on the potential energy surfaces of ground and excited states. Molecular Physics 107:2, pages 143-155.
Read now
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Michael Hanrath. (2008) Multi-reference coupled-cluster study of the ionic-neutral curve crossing LiF. Molecular Physics 106:15, pages 1949-1957.
Read now
Read now
Karol Kowalski & Piotr Piecuch
. (2004) New classes of non-iterative energy corrections to multi-reference coupled-cluster energies. Molecular Physics 102:23-24, pages 2425-2449.
Read now
Read now
JESÚS CABRERO, ROSA CABALLOL & JEAN-PAUL MALRIEU. (2002) Efficiency of a controlled use of Davidson's correction for the calculation of excitation energies: vertical spectrum of trans-butadiene. Molecular Physics 100:6, pages 919-926.
Read now
Read now
NATHALIE GUIHERY, JEAN-PAUL MALRIEU, DANIEL MAYNAU & PETER WIND. (1998) A statistical multireference state-specific dressing of configuration interaction matrices: application to Heisenberg Hamiltonians. Molecular Physics 94:1, pages 209-216.
Read now
Read now
U. S. MAHAPATRA, B. DATTA & D. MUKHERJEE. (1998) A state-specific multi-reference coupled cluster formalism with molecular applications. Molecular Physics 94:1, pages 157-171.
Read now
Read now
INGVAR LINDGREN. (1998) Electron correlation and quantum electrodynamics. Molecular Physics 94:1, pages 19-28.
Read now
Read now
S.S.Z. Adnan, S. Bhattacharya & D. Mukherjee. (1980) Application of linear response function theory in a coupled-cluster framework. Molecular Physics 39:2, pages 519-524.
Read now
Read now
Vladimír Kvasnička, Viliam Laurinc & Stanislav Biskupič. (1980) Wigner's (2n + 1) rule in MBPT. Molecular Physics 39:1, pages 143-161.
Read now
Read now
Debashis Mukherjee, Raj
Kumar Moitra & Atri Mukhopadhyay. (1977) Applications of a non-perturbative many-body formalism to general open-shell atomic and molecular problems: calculation of the ground and the lowest π-π* singlet and triplet energies and the first ionization potential of trans-butadiene. Molecular Physics 33:4, pages 955-969.
Read now
Read now
Articles from other publishers (275)
Joshua A. Black, Alexander Waigum, Robert G. Adam, K. R. Shamasundar & Andreas Köhn. (2023) Toward an efficient implementation of internally contracted coupled-cluster methods. The Journal of Chemical Physics 158:13.
Crossref
Crossref
Duo Song, Nicholas P. Bauman, Guen Prawiroatmodjo, Bo Peng, Cassandra Granade, Kevin M. Rosso, Guang Hao Low, Martin Roetteler, Karol Kowalski & Eric J. Bylaska. (2023) Periodic plane-wave electronic structure calculations on quantum computers. Materials Theory 7:1.
Crossref
Crossref
Bo Peng & Karol Kowalski. (2022) Mapping renormalized coupled cluster methods to quantum computers through a compact unitary representation of nonunitary operators. Physical Review Research 4:4.
Crossref
Crossref
Rajat K. Chaudhuri & Sudip Chattopadhyay. (2022) Theoretical investigations of electronic spectra of silver atom using all-electron scalar relativistic basis. AIP Advances 12:12.
Crossref
Crossref
Christopher Kang, Nicholas P. Bauman, Sriram Krishnamoorthy & Karol Kowalski. (2022) Optimized Quantum Phase Estimation for Simulating Electronic States in Various Energy Regimes. Journal of Chemical Theory and Computation 18:11, pages 6567-6576.
Crossref
Crossref
Nicholas P. Bauman & Karol Kowalski. (2022) Coupled cluster downfolding methods: The effect of double commutator terms on the accuracy of ground-state energies. The Journal of Chemical Physics 156:9.
Crossref
Crossref
Abhinav Anand, Philipp Schleich, Sumner Alperin-Lea, Phillip W. K. Jensen, Sukin Sim, Manuel Díaz-Tinoco, Jakob S. Kottmann, Matthias Degroote, Artur F. Izmaylov & Alán Aspuru-Guzik. (2022) A quantum computing view on unitary coupled cluster theory. Chemical Society Reviews 51:5, pages 1659-1684.
Crossref
Crossref
Nils Herrmann & Michael Hanrath. (2022) A correctly scaling rigorously spin-adapted and spin-complete open-shell CCSD implementation for arbitrary high-spin states. The Journal of Chemical Physics 156:5.
Crossref
Crossref
Diksha Dhawan, Mekena Metcalf & Dominika Zgid. (2021) Dynamical Self-energy Mapping (DSEM) for Creation of Sparse Hamiltonians Suitable for Quantum Computing. Journal of Chemical Theory and Computation 17:12, pages 7622-7631.
Crossref
Crossref
Karol Kowalski. (2021) Dimensionality reduction of the many-body problem using coupled-cluster subsystem flow equations: Classical and quantum computing perspective. Physical Review A 104:3.
Crossref
Crossref
Suhita Basumallick, Mihai V. Putz & Sourav Pal. (2021) Three-Body Excitations in Fock-Space Coupled-Cluster: Fourth Order Perturbation Correction to Electron Affinity and Its Relation to Bondonic Formalism. International Journal of Molecular Sciences 22:16, pages 8953.
Crossref
Crossref
Dibyajyoti Chakravarti, Koustav Hazra, Riya Kayal, Sudip Sasmal & Debashis Mukherjee. (2021) Exploration of interlacing and avoided crossings in a manifold of potential energy curves by a unitary group adapted state specific multi-reference perturbation theory (UGA-SSMRPT). The Journal of Chemical Physics 155:1, pages 014101.
Crossref
Crossref
Anirban Mukherjee & Siddhartha Lal. (2020) Holographic unitary renormalization group for correlated electrons - I: A tensor network approach. Nuclear Physics B 960, pages 115170.
Crossref
Crossref
Nils Herrmann & Michael Hanrath. (2020) Generation of spin-adapted and spin-complete substitution operators for (high spin) open-shell coupled cluster of arbitrary order. The Journal of Chemical Physics 153:16.
Crossref
Crossref
Soumi Tribedi, Anish Chakraborty & Rahul Maitra. (2020) Formulation of a Dressed Coupled-Cluster Method with Implicit Triple Excitations and Benchmark Application to Hydrogen-Bonded Systems. Journal of Chemical Theory and Computation 16:10, pages 6317-6328.
Crossref
Crossref
Sambhu N. Datta. (2020) A multireference coupled cluster theory based on quantum electrodynamics: Physical aspects of open-shell treatment. Computational and Theoretical Chemistry 1180, pages 112794.
Crossref
Crossref
Koichi Miyagawa, Mitsuo Shoji, Hiroshi Isobe, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura & Kizashi Yamaguchi. (2020) UNO(ULO) active space for multireference calculations on classical and quantum computers. Revisit to the iron-sulfur complexes. Chemical Physics Letters 746, pages 137252.
Crossref
Crossref
Nicholas P. Bauman, Guang Hao Low & Karol Kowalski. (2019) Quantum simulations of excited states with active-space downfolded Hamiltonians. The Journal of Chemical Physics 151:23.
Crossref
Crossref
Maria-Andreea Filip, Charles J. C. Scott & Alex J. W. Thom. (2019) Multireference Stochastic Coupled Cluster. Journal of Chemical Theory and Computation 15:12, pages 6625-6635.
Crossref
Crossref
Sambhu N. Datta. (2019) A coupled cluster theory based on quantum electrodynamics: Method for closed shells. Computational and Theoretical Chemistry 1166, pages 112574.
Crossref
Crossref
Rajat K. Chaudhuri & Sudip Chattopadhyay. (2019) Fock-space multireference coupled cluster calculations of Auger energies of noble gas elements using relativistic spinors. The Journal of Chemical Physics 151:7.
Crossref
Crossref
Madhulita Das & Ananta C Pradhan. (2019) Study of atomic spectroscopy and hyperfine structure of francium (Fr) isotopes using relativistic Fock space multireference coupled-cluster method. Journal of Physics B: Atomic, Molecular and Optical Physics 52:15, pages 155001.
Crossref
Crossref
Nicholas P. Bauman, Eric J. Bylaska, Sriram Krishnamoorthy, Guang Hao Low, Nathan Wiebe, Christopher E. Granade, Martin Roetteler, Matthias Troyer & Karol Kowalski. (2019) Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms. The Journal of Chemical Physics 151:1.
Crossref
Crossref
Takashi Kawakami, Koichi Miyagawa, Sandeep Sharma, Toru Saito, Mitsuo Shoji, Satoru Yamada, Shusuke Yamanaka, Mitsutaka Okumura, Takahito Nakajima & Kizashi Yamaguchi. (2018)
UNO DMRG CAS CI calculations of binuclear manganese complex Mn(IV)
2
O
2
(NHCHCO
2
)
4
: Scope and applicability of Heisenberg model
. Journal of Computational Chemistry 40:2, pages 333-341.
Crossref
Crossref
Hans Lischka, Dana Nachtigallová, Adélia J. A. Aquino, Péter G. Szalay, Felix Plasser, Francisco B. C. Machado & Mario Barbatti. (2018) Multireference Approaches for Excited States of Molecules. Chemical Reviews 118:15, pages 7293-7361.
Crossref
Crossref
Francesco A. Evangelista. (2018) Perspective: Multireference coupled cluster theories of dynamical electron correlation. The Journal of Chemical Physics 149:3.
Crossref
Crossref
Supriya K. Chaudhuri, Prasanta K. Mukherjee, Rajat K. Chaudhuri & Sudip Chattopadhyay. (2018) Equation of motion approach for describing allowed transitions in Ne and Al3+ under classical and quantum plasmas. Physics of Plasmas 25:4.
Crossref
Crossref
Madhulita Das & Ananta C. Pradhan. (2017) Spectroscopy of Na I and K I atoms embedded in weakly coupled plasma environment. Physics of Plasmas 24:11.
Crossref
Crossref
Rahul Maitra, Yoshinobu Akinaga & Takahito Nakajima. (2017) A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potential. The Journal of Chemical Physics 147:7.
Crossref
Crossref
Supriya K. Chaudhuri, Rajat K. Chaudhuri, Prasanta K. Mukherjee & Sudip Chattopadhyay. (2017) A confinement induced spectroscopic study of noble gas atoms using equation of motion architecture: Encapsulation within fullerene’s voids. The Journal of Chemical Physics 147:3.
Crossref
Crossref
Anal Bhowmik, Narendra Nath Dutta & Sourav Roy. (2017) Precise Calculations of Astrophysically Important Allowed and Forbidden Transitions of Xe viii. The Astrophysical Journal 836:1, pages 125.
Crossref
Crossref
Tran Nguyen Lan, Alexei A. Kananenka & Dominika Zgid. (2016) Rigorous Ab Initio Quantum Embedding for Quantum Chemistry Using Green’s Function Theory: Screened Interaction, Nonlocal Self-Energy Relaxation, Orbital Basis, and Chemical Accuracy. Journal of Chemical Theory and Computation 12:10, pages 4856-4870.
Crossref
Crossref
Takashi Tsuchimochi & Seiichiro Ten-no. (2016) Black-Box Description of Electron Correlation with the Spin-Extended Configuration Interaction Model: Implementation and Assessment. Journal of Chemical Theory and Computation 12:4, pages 1741-1759.
Crossref
Crossref
Wenjing Ma, Kiran Bhaskaran‐Nair, Oreste Villa, Edoardo Aprà, Antonino Tumeo, Sriram Krishnamoorthy & Karol Kowalski. 2016. Electronic Structure Calculations on Graphics Processing Units. Electronic Structure Calculations on Graphics Processing Units
301
326
.
Murat Erturk & Leszek Meissner. 2016. Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry. Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry
145
160
.
Amitava Sharma, Sudip Chattopadhyay, Kalipada Adhikari & Dhiman Sinha. (2015) Spectroscopic constants relating to ionization from the strongest bonding and inner valence molecular orbital 2σg of N2: An EIP-VUMRCC search. Chemical Physics Letters 634, pages 88-94.
Crossref
Crossref
Devin A. Matthews & John F. Stanton. (2015) Non-orthogonal spin-adaptation of coupled cluster methods: A new implementation of methods including quadruple excitations. The Journal of Chemical Physics 142:6.
Crossref
Crossref
Payal Parmar, Kirk A. Peterson & Aurora E. Clark. (2014) Static electric dipole polarizabilities of An5+/6+ and AnO2+/2+ (An = U, Np, and Pu) ions. The Journal of Chemical Physics 141:23.
Crossref
Crossref
Zoltán Rolik & Mihály Kállay. (2014) A quasiparticle-based multi-reference coupled-cluster method. The Journal of Chemical Physics 141:13.
Crossref
Crossref
Debarati Bhattacharya, Nayana Vaval & Sourav Pal. (2014) Electronic transition dipole moment: A semi‐biorthogonal approach within valence universal coupled cluster framework. International Journal of Quantum Chemistry 114:18, pages 1212-1219.
Crossref
Crossref
Francesco A. Evangelista. (2014) A driven similarity renormalization group approach to quantum many-body problems. The Journal of Chemical Physics 141:5.
Crossref
Crossref
Amit Ghosh. (2014) Saha Institute of Nuclear Physics — Its Past and the Present. Asia Pacific Physics Newsletter 03:02, pages 46-59.
Crossref
Crossref
Rajat K. Chaudhuri, Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2013) Reappraisal of Nuclear Quadrupole Moments of Atomic Halogens via Relativistic Coupled Cluster Linear Response Theory for the Ionization Process. The Journal of Physical Chemistry A 117:47, pages 12616-12627.
Crossref
Crossref
Payal Parmar, Kirk A. Peterson & Aurora E. Clark. (2013) Static Electric Dipole Polarizabilities of Tri- and Tetravalent U, Np, and Pu Ions. The Journal of Physical Chemistry A 117:46, pages 11874-11880.
Crossref
Crossref
David Robinson. (2013) Splitting multiple bonds: A comparison of methodologies on the accuracy of bond dissociation energies. Journal of Computational Chemistry 34:30, pages 2625-2634.
Crossref
Crossref
Rajat K. Chaudhuri, Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2013) Taming the Electronic Structure of Lead and Eka-lead (Flerovium) by the Relativistic Coupled Cluster Method. The Journal of Physical Chemistry A 117:36, pages 8555-8567.
Crossref
Crossref
Daniel Kats & Frederick R. Manby. (2013) Communication: The distinguishable cluster approximation. The Journal of Chemical Physics 139:2.
Crossref
Crossref
Avijit Shee, Sangita Sen & Debashis Mukherjee. (2013) Exploration of Various Aspects of UGA-SUMRCC: Size Extensivity, Possible Use of Sufficiency Conditions, and an Extension for Direct Determination of Energy Differences. Journal of Chemical Theory and Computation 9:6, pages 2573-2590.
Crossref
Crossref
Kalipada Adhikari, Sudip Chattopadhyay, Barin Kumar De, Amitava Sharma, Ranendu Kumar Nath & Dhiman Sinha. (2013)
Search of truncation of (
N
−1) electron basis containing full connected triple excitations in computing main and satellite ionization potentials via Fock‐space coupled cluster approach
. Journal of Computational Chemistry 34:15, pages 1291-1310.
Crossref
Crossref
Wenlan Liu, Matthias Hanauer & Andreas Köhn. (2013) Explicitly correlated internally contracted multireference coupled-cluster singles and doubles theory: ic-MRCCSD(F12∗). Chemical Physics Letters 565, pages 122-127.
Crossref
Crossref
Debarati Bhattacharya, Nayana Vaval & Sourav Pal. (2013) Electronic transition dipole moments and dipole oscillator strengths within Fock-space multi-reference coupled cluster framework: An efficient and novel approach. The Journal of Chemical Physics 138:9.
Crossref
Crossref
Andreas Köhn, Matthias Hanauer, Leonie Anna Mück, Thomas‐Christian Jagau & Jürgen Gauss. (2012) State‐specific multireference coupled‐cluster theory. WIREs Computational Molecular Science 3:2, pages 176-197.
Crossref
Crossref
Jun Shen & Piotr Piecuch. (2012)
Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC(
P
;
Q
) Formalism, with Benchmark Calculations for Singlet–Triplet Gaps in Biradical Systems
. Journal of Chemical Theory and Computation 8:12, pages 4968-4988.
Crossref
Crossref
Debalina Sinha, Rahul Maitra & Debashis Mukherjee. (2012) Development and applications of a unitary group adapted state specific multi-reference coupled cluster theory with internally contracted treatment of inactive double excitations. The Journal of Chemical Physics 137:9.
Crossref
Crossref
Kiran Bhaskaran-Nair, Jiří Brabec, Edoardo Aprà, Hubertus J. J. van Dam, Jiří Pittner & Karol Kowalski. (2012) Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism. The Journal of Chemical Physics 137:9.
Crossref
Crossref
Sangita Sen, Avijit Shee & Debashis Mukherjee. (2012) Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: Excited and ionized state energies. The Journal of Chemical Physics 137:7.
Crossref
Crossref
Rahul Maitra, Debalina Sinha & Debashis Mukherjee. (2012) Unitary group adapted state-specific multi-reference coupled cluster theory: Formulation and pilot numerical applications. The Journal of Chemical Physics 137:2.
Crossref
Crossref
Zhenhua Chen & Mark R. Hoffmann. (2012) Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: Theory and test calculations of second order approximation. The Journal of Chemical Physics 137:1.
Crossref
Crossref
Jun Shen & Piotr Piecuch. (2012) Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods. Chemical Physics 401, pages 180-202.
Crossref
Crossref
Daniel Pape & Michael Hanrath. (2012) Wavefunction quality of single- and multi-reference coupled-cluster and configuration interaction methods: The P4 and H8 model systems. Chemical Physics 401, pages 157-169.
Crossref
Crossref
Leszek Meissner. (2012) Various formulations of the Fock-space coupled-cluster method: Advantages and disadvantages in their practical implementations. Chemical Physics 401, pages 136-145.
Crossref
Crossref
Francesco A. Evangelista & Jürgen Gauss. (2012) On the approximation of the similarity-transformed Hamiltonian in single-reference and multireference coupled cluster theory. Chemical Physics 401, pages 27-35.
Crossref
Crossref
Francesco A. Evangelista, Matthias Hanauer, Andreas Köhn & Jürgen Gauss. (2012) A sequential transformation approach to the internally contracted multireference coupled cluster method. The Journal of Chemical Physics 136:20.
Crossref
Crossref
Matthias Hanauer & Andreas Köhn. (2012) Perturbative treatment of triple excitations in internally contracted multireference coupled cluster theory. The Journal of Chemical Physics 136:20.
Crossref
Crossref
Masahiro Ehara, Piotr Piecuch, Jesse J. Lutz & Jeffrey R. Gour. (2012) Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions. Chemical Physics 399, pages 94-110.
Crossref
Crossref
Jun Shen & Piotr Piecuch. (2012)
Combining active-space coupled-cluster methods with moment energy corrections via the CC(
P
;
Q
) methodology, with benchmark calculations for biradical transition states
. The Journal of Chemical Physics 136:14.
Crossref
Crossref
Madhulita Das, Madhusmita Das, Rajat K. Chaudhuri & Sudip Chattopadhyay. (2012) Application of relativistic Fock-space coupled-cluster theory to study Li and Li-like ions in plasma. Physical Review A 85:4.
Crossref
Crossref
Shuneng Mao, Lan Cheng, Wenjian Liu & Debashis Mukherjee. (2012) A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments. The Journal of Chemical Physics 136:2.
Crossref
Crossref
Dmitry I. Lyakh, Monika Musiał, Victor F. Lotrich & Rodney J. Bartlett. (2011) Multireference Nature of Chemistry: The Coupled-Cluster View. Chemical Reviews 112:1, pages 182-243.
Crossref
Crossref
LALITHA RAVICHANDRAN, DEBARATI BHATTACHARYA, NAYANA VAVAL & SOURAV PAL. (2012) Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals#. Journal of Chemical Sciences 124:1, pages 223-232.
Crossref
Crossref
Madhulita Das, Rajat K. Chaudhuri, Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2011)
Fock-space multireference coupled-cluster calculations of the hyperfine structure of isoelectronic
S
and
Cl
. Physical Review A 84:4.
Crossref
Crossref
Madhulita Das, Rajat K Chaudhuri, Sudip Chattopadhyay, Uttam Sinha Mahapatra & P K Mukherjee. (2011) Application of relativistic coupled cluster linear response theory to helium-like ions embedded in plasma environment. Journal of Physics B: Atomic, Molecular and Optical Physics 44:16, pages 165701.
Crossref
Crossref
Wenli Zou, Dmitry Izotov & Dieter Cremer. (2011) New Way of Describing Static and Dynamic Deformations of the Jahn–Teller Type in Ring Molecules. The Journal of Physical Chemistry A 115:31, pages 8731-8742.
Crossref
Crossref
Matthias Hanauer & Andreas Köhn. (2011) Pilot applications of internally contracted multireference coupled cluster theory, and how to choose the cluster operator properly. The Journal of Chemical Physics 134:20.
Crossref
Crossref
Lalitha Ravichandran, Nayana Vaval & Sourav Pal. (2011) Effect of Triples to Dipole Moments in Fock-Space Multireference Coupled Cluster Method. Journal of Chemical Theory and Computation 7:4, pages 876-883.
Crossref
Crossref
Madhulita Das, Rajat K Chaudhuri, Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2011) Valence universal multireference coupled cluster calculations of the properties of indium in its ground and excited states. Journal of Physics B: Atomic, Molecular and Optical Physics 44:6, pages 065003.
Crossref
Crossref
Monika Musiał, Ajith Perera & Rodney J. Bartlett. (2011) Multireference coupled-cluster theory: The easy way. The Journal of Chemical Physics 134:11.
Crossref
Crossref
Malaya K. Nayak & Rajat K. Chaudhuri. (2011) Determination of molecular hyperfine-structure constant using the second-order relativistic many-body perturbation theory. Physical Review A 83:2.
Crossref
Crossref
B. K. Mani & D. Angom. (2011) Fock-space relativistic coupled-cluster calculations of two-valence atoms. Physical Review A 83:1.
Crossref
Crossref
Sanghamitra Das, Debashis Mukherjee & Mihály Kállay. (2010) Full implementation and benchmark studies of Mukherjee’s state-specific multireference coupled-cluster ansatz. The Journal of Chemical Physics 132:7.
Crossref
Crossref
Jun-ya Hasegawa, Akihiro Obata & Kenji Matsuda. (2010) Generalizing the bra state in the symmetry-adapted cluster singles and doubles method and the second-order perturbation correction. Chemical Physics Letters 486:1-3, pages 84-88.
Crossref
Crossref
Rajat K. Chaudhuri, Sudip Chattopadhyay, Uttam Sinha Mahapatra & Karl F. Freed. (2010) Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method. The Journal of Chemical Physics 132:3.
Crossref
Crossref
Michael Hanrath. 2010. Recent Progress in Coupled Cluster Methods. Recent Progress in Coupled Cluster Methods
175
190
.
Sanghamitra Das, Shubhrodeep Pathak, Rahul Maitra & Debashis Mukherjee. 2010. Recent Progress in Coupled Cluster Methods. Recent Progress in Coupled Cluster Methods
57
77
.
Shusuke Yamanaka, Satomichi Nishihara, Kazuto Nakata, Yasushige Yonezawa, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura, Toshikazu Takada, Haruki Nakamura & Kizashi Yamaguchi. 2010. Recent Progress in Coupled Cluster Methods. Recent Progress in Coupled Cluster Methods
621
648
.
Dipayan Datta & Debashis Mukherjee. (2009) An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: Formal development and pilot applications. The Journal of Chemical Physics 131:4.
Crossref
Crossref
Anna Engels-Putzka & Michael Hanrath. (2009) Multi-reference coupled-cluster study of the potential energy surface of the hydrogen fluoride dissociation including excited states. Journal of Molecular Structure: THEOCHEM 902:1-3, pages 59-65.
Crossref
Crossref
Michael Hanrath & Anna Engels-Putzka. (2008) A multi-reference coupled-cluster study on the potential energy surface of N2 including ground and excited states: spin projections and wavefunction overlaps. Theoretical Chemistry Accounts 122:3-4, pages 197-206.
Crossref
Crossref
Rahul Maitra, Dipayan Datta & Debashis Mukherjee. (2009) Use of a convenient size-extensive normalization in multi-reference coupled cluster (MRCC) theory with incomplete model space: A novel valence universal MRCC formulation. Chemical Physics 356:1-3, pages 54-63.
Crossref
Crossref
Uttam Sinha Mahapatra, Sudip Chattopadhyay & Rajat K. Chaudhuri. (2009) Application of state-specific multireference Møller–Plesset perturbation theory to nonsinglet states. The Journal of Chemical Physics 130:1, pages 014101.
Crossref
Crossref
Michael Hanrath. (2008) An exponential multi-reference wavefunction ansatz: connectivity analysis and application to N2. Theoretical Chemistry Accounts 121:3-4, pages 187-195.
Crossref
Crossref
Rajat K. Chaudhuri, Jeff R. Hammond, Karl F. Freed, Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2008)
Reappraisal of
cis
effect in 1,2-dihaloethenes: An improved virtual orbital multireference approach
. The Journal of Chemical Physics 129:6.
Crossref
Crossref
Sanghamitra Das, Dipayan Datta, Rahul Maitra & Debashis Mukherjee. (2008) Development and pilot molecular applications of the uncoupled state-specific MRCC (UC-SS-MRCC) theory. Chemical Physics 349:1-3, pages 115-120.
Crossref
Crossref
Michael Hanrath. (2008)
Higher excitations for an exponential multireference wavefunction
Ansatz
and single-reference based multireference coupled cluster
Ansatz
: Application to model systems H4, P4, and BeH2
. The Journal of Chemical Physics 128:15.
Crossref
Crossref
Chiranjib Sur, Rajat K Chaudhuri, Bijaya K Sahoo, B P Das & D Mukherjee. (2008) Relativistic unitary coupled cluster theory and applications. Journal of Physics B: Atomic, Molecular and Optical Physics 41:6, pages 065001.
Crossref
Crossref
Leszek Meissner. (2008) Coupled‐cluster corrected MR‐CISD method with noniterative evaluation of connected triples. International Journal of Quantum Chemistry 108:12, pages 2199-2210.
Crossref
Crossref
Dipayan Datta & Debashis Mukherjee. (2008) A compact spin‐free combinatoric open‐shell coupled cluster theory applied to single‐reference doublets. International Journal of Quantum Chemistry 108:12, pages 2211-2222.
Crossref
Crossref
Ideh Heidari, Sourav Pal, B. S. Pujari & D. G. Kanhere. (2007) Electronic structure of spherical quantum dots using coupled cluster method. The Journal of Chemical Physics 127:11.
Crossref
Crossref
Chiranjib Sur & Rajat K. Chaudhuri. (2007)
Relativistic multireference Fock-space coupled-cluster calculation of the forbidden
magnetic-dipole transition in ytterbium
. Physical Review A 76:1.
Crossref
Crossref
Chiranjib Sur & Rajat K. Chaudhuri. (2007) Effects of partial triple excitations in atomic coupled cluster calculations. Chemical Physics Letters 442:1-3, pages 150-156.
Crossref
Crossref
Sudip Chattopadhyay, Asish Mitra & Dhiman Sinha. (2006) Explicitly intruder-free valence-universal multireference coupled cluster theory as applied to ionization spectroscopy. The Journal of Chemical Physics 125:24.
Crossref
Crossref
Sanghamitra Das, Nabakumar Bera, Subhasree Ghosh & Debashis Mukherjee. (2006) An externally-corrected size-extensive single-root MRCC formalism: Its kinship with the rigorously size-extensive state-specific MRCC theory. Journal of Molecular Structure: THEOCHEM 771:1-3, pages 79-87.
Crossref
Crossref
Debasis Jana, Dipayan Datta & Debashis Mukherjee. (2006) A novel VU-MRCC formalism for the simultaneous treatment of strong relaxation and correlation effects with applications to electron affinity of neutral radicals. Chemical Physics 329:1-3, pages 290-306.
Crossref
Crossref
Dola Pahari, Pradipta Ghosh, Debashis Mukherjee & Sudip Chattopadhyay. (2006) Towards the Development and Applications of Manifestly Spin-free Multi-reference Coupled Electron-pair Approximation-like Methods: A State Specific Approach. Theoretical Chemistry Accounts 116:4-5, pages 621-636.
Crossref
Crossref
Malaya K. Nayak, Rajat K. Chaudhuri, Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2006) Applications of core-valence extensive multi-reference coupled cluster theory and core-extensive coupled cluster-based linear response theory. Journal of Molecular Structure: THEOCHEM 768:1-3, pages 133-140.
Crossref
Crossref
Jean-Louis Heully & Jean-Paul Malrieu. (2006) What would be the most relevant transcription of a CCSD(T) method into a dressed SDCI matrix?. Journal of Molecular Structure: THEOCHEM 768:1-3, pages 53-62.
Crossref
Crossref
Nabakumar Bera, Subhasree Ghosh, Debashis Mukherjee & Sudip Chattopadhyay. (2005) Reappraisal of the Role of Size-Extensive Normalization for Multireference Coupled Cluster (MRCC) Theory Using General Model Space: A Valence Universal MRCC Approach. The Journal of Physical Chemistry A 109:50, pages 11462-11469.
Crossref
Crossref
Ľuboš Horný, Henry F. SchaeferIIIIII, Ivan Hubač & Sourav Pal. (2005) On the single-root approach within the framework of coupled-cluster theory in Fock space. Chemical Physics 315:3, pages 240-250.
Crossref
Crossref
Debasis Jana & Debashis Mukherjee. (2005) Development of a relaxation-inducing cluster expansion formalism for treating strong relaxation and correlation effects. The Journal of Chemical Physics 122:23.
Crossref
Crossref
Monika Musiał & Leszek Meissner. (2005) The Fock-Space Coupled-Cluster Method in the Calculation of Excited State Properties. Collection of Czechoslovak Chemical Communications 70:6, pages 811-825.
Crossref
Crossref
Dola Pahari, Sudip Chattopadhyay, Sanghamitra Das, Debashis Mukherjee & Uttam Sinha Mahapatra. 2005. Theory and Applications of Computational Chemistry. Theory and Applications of Computational Chemistry
581
633
.
Sudip Chattopadhyay & Uttam Sinha Mahapatra. (2004) Molecular Applications of a State-Specific Multireference Coupled Electron-Pair Approximation (SS-MRCEPA)-like Method. The Journal of Physical Chemistry A 108:52, pages 11664-11678.
Crossref
Crossref
L. Meissner, J. Gryniaków & I. Hubač. (2004) Breaking N2 triple bond: the coupled-cluster corrected multi-reference configuration interaction description. Chemical Physics Letters 397:1-3, pages 34-39.
Crossref
Crossref
L Meissner, P Malinowski & J Gryniaków. (2004) Approximate evaluation of the effect of three-body cluster operators in the valence-universal coupled-cluster excitation energy calculations for Be and Mg. Journal of Physics B: Atomic, Molecular and Optical Physics 37:11, pages 2387-2400.
Crossref
Crossref
Sudip Chattopadhyay, Dola Pahari, Debashis Mukherjee & Uttam Sinha Mahapatra. (2004) A state-specific approach to multireference coupled electron-pair approximation like methods: Development and applications. The Journal of Chemical Physics 120:13, pages 5968-5986.
Crossref
Crossref
Shuhua Li. (2004) Block-correlated coupled cluster theory: The general formulation and its application to the antiferromagnetic Heisenberg model. The Journal of Chemical Physics 120:11, pages 5017-5026.
Crossref
Crossref
Sudip Chattopadhyay, Pradipta Ghosh & Uttam Sinha Mahapatra. (2004) Applications of size-consistent state-specific multi-reference coupled cluster (SS-MRCC) theory to study the potential energy curves of some interesting molecular systems. Journal of Physics B: Atomic, Molecular and Optical Physics 37:2, pages 495-510.
Crossref
Crossref
L. Meissner, P. Malinowski & A. Nowaczyk. (2003) Application of the intermediate Hamiltonian valence-universal coupled-cluster method to atomic systems with one valence electron. Chemical Physics Letters 381:3-4, pages 441-450.
Crossref
Crossref
Taku Onishi, Daisuke Yamaki, Kizashi Yamaguchi & Yu Takano. (2003) Theoretical calculations of effective exchange integrals by spin projected and unprojected broken-symmetry methods. I. Cluster models of K2NiF4-type solids. The Journal of Chemical Physics 118:21, pages 9747-9761.
Crossref
Crossref
Shuhua Li, Jing Ma & Yuansheng Jiang. (2003) Pair-correlated coupled cluster theory: An alternative multireference coupled cluster method. The Journal of Chemical Physics 118:13, pages 5736-5745.
Crossref
Crossref
Leszek Meissner & JarosłaW Gryniaków. (2003) Effective Hamiltonian and Intermediate Hamiltonian Formulations of the Fock-Space Coupled-Cluster Method. Collection of Czechoslovak Chemical Communications 68:1, pages 105-138.
Crossref
Crossref
S. Wilson, I. Hubač, P. Mach, J. Pittner & P. Čársky. 2003. Advanced Topics in Theoretical Chemical Physics. Advanced Topics in Theoretical Chemical Physics
71
117
.
Werner Kutzelnigg. 2003. Explicitly Correlated Wave Functions in Chemistry and Physics. Explicitly Correlated Wave Functions in Chemistry and Physics
3
90
.
Nicholas D. K. Petraco, Ľuboš Horný, Henry F. SchaeferIIIIII & Ivan Hubač. (2002) Brillouin–Wigner coupled cluster theory. Fock-space approach. The Journal of Chemical Physics 117:21, pages 9580-9587.
Crossref
Crossref
Piotr Piecuch & Karol Kowalski. (2002) The State-Universal Multi-Reference Coupled-Cluster Theory: An Overview of Some Recent Advances. International Journal of Molecular Sciences 3:6, pages 676-709.
Crossref
Crossref
P. Malinowski, L. Meissner & A. Nowaczyk. (2002) Application of the intermediate Hamiltonian valence-universal coupled-cluster method to the magnesium atom. The Journal of Chemical Physics 116:17, pages 7362-7371.
Crossref
Crossref
Tadafumi Ohsaku & Kizashi Yamaguchi. (2001) QED‐SCF, MCSCF, and coupled‐cluster methods in quantum chemistry. International Journal of Quantum Chemistry 85:4-5, pages 272-280.
Crossref
Crossref
Zohra Jani & Jean Paul Malrieu. (2000) A multi-reference coupled cluster formalism for the study of the lowest eigenstates of Hubbard Hamiltonians. Chemical Physics Letters 329:1-2, pages 119-129.
Crossref
Crossref
Ludwik Adamowicz, Jean-Paul Malrieu & Vladimir V. Ivanov. (2000) New approach to the state-specific multireference coupled-cluster formalism. The Journal of Chemical Physics 112:23, pages 10075-10084.
Crossref
Crossref
L. Meissner & P. Malinowski. (2000) Intermediate Hamiltonian formulation of the valence-universal coupled-cluster method for atoms. Physical Review A 61:6.
Crossref
Crossref
Karol Kowalski & Piotr Piecuch. (2000) Complete set of solutions of multireference coupled-cluster equations: The state-universal formalism. Physical Review A 61:5.
Crossref
Crossref
Werner Kutzelnigg & Pasquale von Herigonte. 2000.
185
229
.
Piotr Piecuch & Rodney J. Bartlett. 1999.
295
380
.
Hideo Sekino & Rodney J. Bartlett. 1999.
149
173
.
Nayana Vaval & Sourav Pal. (1999) Molecular property calculations for excited states using a multireference coupled-cluster approach. Chemical Physics Letters 300:1-2, pages 125-130.
Crossref
Crossref
Per-Olov Löwdin. (1999) Connection between semi-empirical and ab initio methods in the quantum theory of molecular electronic spectra. International Journal of Quantum Chemistry 72:4, pages 379-391.
Crossref
Crossref
Jozef Mášik, Ivan Hubač & Pavel Mach. (1998) Single-root multireference Brillouin-Wigner coupled-cluster theory: Applicability to the F2 molecule. The Journal of Chemical Physics 108:16, pages 6571-6579.
Crossref
Crossref
Per-Olov Löwdin. 1998. Advances in Quantum Chemistry Volume 30. Advances in Quantum Chemistry Volume 30
415
432
.
Jozef Mášik & Ivan Hubač. 1998.
75
104
.
James P. Finley, Rajat K. Chaudhuri & Karl F. Freed. (1996) Convergence behavior of multireference perturbation theory: Forced degeneracy and optimization partitioning applied to the beryllium atom. Physical Review A 54:1, pages 343-356.
Crossref
Crossref
B. Datta, R. Chaudhuri & D. Mukherjee. (1996) Method of intermediate hamiltonians via eigenvalue-independent partitioning: application to theoretical spectroscopy. Journal of Molecular Structure: THEOCHEM 361:1-3, pages 21-31.
Crossref
Crossref
Leszek Meissner. (1995) A Fock-space coupled-cluster method fully utilizing valence universal strategy. The Journal of Chemical Physics 103:18, pages 8014-8021.
Crossref
Crossref
S. R. Hughes & Uzi Kaldor. (2004) The coupled‐cluster method in high sectors of the Fock space. International Journal of Quantum Chemistry 55:2, pages 127-132.
Crossref
Crossref
Per‐Olov Löwdin. (2004) The historical development of the electron correlation problem. International Journal of Quantum Chemistry 55:2, pages 77-102.
Crossref
Crossref
Martin Quack & Werner Kutzelnigg. (2010) Molecular Spectroscopy and Molecular Dynamics: Theory and Experiment. Berichte der Bunsengesellschaft für physikalische Chemie 99:3, pages 231-245.
Crossref
Crossref
Jozef Mášik, Ivan Hubač & Pavel Mach. (2004)
Applicability of quasi‐degenerate many‐body perturbation theory to the ground state of the F
2
molecule
. International Journal of Quantum Chemistry 53:3, pages 297-308.
Crossref
Crossref
Jozef Mášsik, Ivan Hubačc & Pavel Mach. (2004)
Applicability of quasi‐degenerate many‐body perturbation theory to quasi‐degenerate electronic states: The H
4
model revisited
. International Journal of Quantum Chemistry 53:2, pages 207-228.
Crossref
Crossref
G. Madhavi Sastry & M. Durga Prasad. (1994) Some aspects of the algebraic description of anharmonic dynamics. Theoretica Chimica Acta 89:2-3, pages 193-209.
Crossref
Crossref
M. Durga Prasad. (1994) On the calculation of expectation values and transition matrix elements by coupled cluster method. Theoretica Chimica Acta 88:5, pages 383-388.
Crossref
Crossref
Nayana Vaval, Ramkinkar Roy & Sourav Pal. (1994) Stationary multideterminantal coupled-cluster response. Physical Review A 49:3, pages 1623-1628.
Crossref
Crossref
S. R. Hughes & Uzi Kaldor. (1993) The Fock-space coupled-cluster method: Electron affinities of the five halogen elements with consideration of triple excitations. The Journal of Chemical Physics 99:9, pages 6773-6776.
Crossref
Crossref
Leszek Meissner, Anna Balková & Rodney J. Bartlett. (1993) Multiple solutions of the single-reference coupled-cluster method. Chemical Physics Letters 212:1-2, pages 177-184.
Crossref
Crossref
Vincent Hurtubise. (1993) Identities, perturbative expansions, and recursion relations for mapping operators, effective Hamiltonians, and effective operators. The Journal of Chemical Physics 99:1, pages 265-276.
Crossref
Crossref
K. Yamaguchi, M. Okumura, W. Mori, J. Maki, K. Takada, T. Noro & K. Tanaka. (1993) Comparison between spin restricted and unrestricted post-Hartree—Fock calculations of effective exchange integrals in Ising and Heisenberg models. Chemical Physics Letters 210:1-3, pages 201-210.
Crossref
Crossref
Nayana Vaval, Keya B. Ghose, Sourav Pal & Debashis Mukherjee. (1993) Fock-space multireference coupled-cluster theory. fourth-order corrections to the ionization potential. Chemical Physics Letters 209:3, pages 292-298.
Crossref
Crossref
S. R. Hughes & Uzi Kaldor. (1993) Fock-space coupled-cluster method: The (1,2) sector. Physical Review A 47:6, pages 4705-4712.
Crossref
Crossref
S.R. Hughes & Uzi Kaldor. (1993) The coupled-cluster method with full inclusion of single, double and triple excitations applied to high sectors of the Fock space. Chemical Physics Letters 204:3-4, pages 339-342.
Crossref
Crossref
Sigalit Berkovic & Uzi Kaldor. (1993) Degeneracy breaking in the Hilbert-space coupled cluster method. The Journal of Chemical Physics 98:4, pages 3090-3094.
Crossref
Crossref
Sigalit Berkovic & Uzi Kaldor. (1992) Hilbert space coupled-cluster method in an incomplete model space. Chemical Physics Letters 199:1-2, pages 42-46.
Crossref
Crossref
Debasis Mukhopadhyay, Barnali Datta (nee Kundu)Debashis Mukherjee. (1992) The construction of a size-extensive intermediate Hamiltonian in a coupled-cluster framework. Chemical Physics Letters 197:3, pages 236-242.
Crossref
Crossref
S.R. Hughes & Uzi Kaldor. (1992) High sectors in the Fock space coupled-cluster method. Chemical Physics Letters 194:1-2, pages 99-104.
Crossref
Crossref
Stanislaw A. Kucharski & Rodney J. Bartlett. (1992) Coupled-cluster method for an incomplete model space. International Journal of Quantum Chemistry 44:S26, pages 107-115.
Crossref
Crossref
Sourav Pal. (2004) An open‐shell coupled‐cluster response method for static properties. International Journal of Quantum Chemistry 41:3, pages 443-452.
Crossref
Crossref
Vincent Hurtubise & Karl F. Freed. 1992. Advances in Chemical Physics. Advances in Chemical Physics
465
541
.
A. Balková, S. A. Kucharski, L. Meissner & Rodney J. Bartlett. (1991) The multireference coupled-cluster method in Hilbert space: An incomplete model space application to the LiH molecule. The Journal of Chemical Physics 95:6, pages 4311-4316.
Crossref
Crossref
Hiroshi Nakatsuji. (1991) Mixed-exponentially generated wave function method for ground, excited, ionized, and electron attached states of a molecule. The Journal of Chemical Physics 95:6, pages 4296-4305.
Crossref
Crossref
K. Hirao. (1991) The generalized symmetry adapted cluster theory. The Journal of Chemical Physics 95:5, pages 3589-3595.
Crossref
Crossref
A. Balková, S.A. Kucharski & Rodney J. Bartlett. (1991) The multi-reference Hilbert space coupled-cluster study of the Li2 molecule. Application in a complete model space. Chemical Physics Letters 182:5, pages 511-518.
Crossref
Crossref
C. M. L. Rittby & R. J. Bartlett. (1991) Multireference coupled cluster theory in Fock space. Theoretica Chimica Acta 80:6, pages 469-482.
Crossref
Crossref
Debasis Mukhopadhyay, Saroj Mukhopadhyay, Rajat Chaudhuri & Debashis Mukherjee. (1991) Aspects of separability in the coupled cluster based direct methods for energy differences. Theoretica Chimica Acta 80:6, pages 441-467.
Crossref
Crossref
Uzi Kaldor. (2013)
Na
2
Ground and Excited States by the Open‐Shell Coupled‐Cluster Method
. Israel Journal of Chemistry 31:4, pages 345-349.
Crossref
Crossref
R. F. Bishop, M. F. Flynn, M. C. Boscá, E. Buenda & R. Guardiola. (1990) Translationally invariant coupled cluster theory for simple finite systems. Physical Review C 42:4, pages 1341-1360.
Crossref
Crossref
Uzi Kaldor. (1990) Li2 ground and excited states by the open-shell coupled-cluster method. Chemical Physics 140:1, pages 1-6.
Crossref
Crossref
Debasis MukhopadhyayJr.Jr. & Debashis Mukherjee. (1989) Size-extensive effective hamiltonian formalisms using quasi-Hilbert and quasi-Fock space strategies with incomplete model spaces. Chemical Physics Letters 163:2-3, pages 171-177.
Crossref
Crossref
Rajat Chaudhuri, Debasis MukhopadhyayJr.Jr. & Debashis Mukherjee. (1989) Applications of open-shell coupled cluster theory using an eigenvalue-independent partitioning technique: Approximate inclusion of triples in IP calculations. Chemical Physics Letters 162:4-5, pages 393-398.
Crossref
Crossref
Piotr Piecuch & Josef Paldus. (2004) Orthogonally spin‐adapted coupled‐cluster equations involving singly and doubly excited clusters. Comparison of different procedures for spin‐adaptation. International Journal of Quantum Chemistry 36:4, pages 429-453.
Crossref
Crossref
Sourav Pal, Magnus Rittby & Rodney J. Bartlett. (1989) Multi-reference coupled-cluster methods for ionization potentials with partial inclusion of triple excitations. Chemical Physics Letters 160:2, pages 212-218.
Crossref
Crossref
Uzi Kaldor, Szczepan Roszak, P. C. Hariharan & Joyce J. Kaufman. (1989) Multireference coupled cluster and multireference configuration interaction studies of the potential surfaces for deprotonation of NH+4. The Journal of Chemical Physics 90:11, pages 6395-6400.
Crossref
Crossref
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