Citations (21)
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Ilias Magoulas, Jun Shen & Piotr Piecuch. (2022) Addressing strong correlation by approximate coupled-pair methods with active-space and full treatments of three-body clusters. Molecular Physics 120:19-20.
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Jun Shen & Piotr Piecuch. (2021) Double electron-attachment equation-of-motion coupled-cluster methods with up to 4-particle–2-hole excitations: improved implementation and application to singlet–triplet gaps in ortho-, meta-, and para-benzyne isomers. Molecular Physics 119:21-22.
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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.
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Jared A. Hansen, Nicholas P. Bauman, Jun Shen, Weston Thatcher Borden & Piotr Piecuch. (2016) Ab initio coupled-cluster and multi-reference configuration interaction studies of the low-lying electronic states of 1,2,3,4-cyclobutanetetraone. Molecular Physics 114:5, pages 695-708.
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Articles from other publishers (17)
Jingbai Li & Steven A. Lopez. 2024. Comprehensive Computational Chemistry. Comprehensive Computational Chemistry
658
698
.
Arnab Chakraborty, Stephen H. Yuwono, J. Emiliano Deustua, Jun Shen & Piotr Piecuch. (2022)
Benchmarking the semi-stochastic CC(
P
;
Q
) approach for singlet–triplet gaps in biradicals
. The Journal of Chemical Physics 157:13.
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Woojin Park, Jun Shen, Seunghoon Lee, Piotr Piecuch, Taiha Joo, Michael Filatov(Gulak) & Cheol Ho Choi. (2022) Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process. The Journal of Physical Chemistry C 126:35, pages 14976-14985.
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Woojin Park, Jun Shen, Seunghoon Lee, Piotr Piecuch, Michael Filatov & Cheol Ho Choi. (2021)
Internal Conversion between Bright (1
1
B
u
+
) and Dark (2
1
A
g
–
) States in s-
trans
-Butadiene and s-
trans
-Hexatriene
. The Journal of Physical Chemistry Letters 12:39, pages 9720-9729.
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Bo Peng, Nicholas P Bauman, Sahil Gulania & Karol Kowalski. 2021.
23
53
.
Minggang Guo, Zhifan Wang & Fan Wang. (2020) Equation-of-motion coupled-cluster theory for double electron attachment with spin–orbit coupling. The Journal of Chemical Physics 153:21.
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Jeffrey R. Reimers, Jun Shen, Mehran Kianinia, Carlo Bradac, Igor Aharonovich, Michael J. Ford & Piotr Piecuch. (2020)
Photoluminescence, photophysics, and photochemistry of the
defect in hexagonal boron nitride
. Physical Review B 102:14.
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A. Sajid, Jeffrey R. Reimers, Rika Kobayashi & Michael J. Ford. (2020)
Theoretical spectroscopy of the
defect in hexagonal boron nitride
. Physical Review B 102:14.
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J. Emiliano Deustua, Stephen H. Yuwono, Jun Shen & Piotr Piecuch. (2019) Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations. The Journal of Chemical Physics 150:11.
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Kalipada Adhikari. (2018) Effect of three-body transformed Hamiltonian ( $$\tilde{H} _3 $$ H ~ 3 ) using full connected triple excitation coupled cluster operators on valence ionisation potentials of $$\hbox {Cl}_{2}$$ Cl 2 and $$\hbox {F}_{2}$$ F 2 computed via EIP-VUMRCCSD $$\uptau $$ τ scheme. Pramana 90:3.
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Samuel J. Stoneburner, Jun Shen, Adeayo O. Ajala, Piotr Piecuch, Donald G. Truhlar & Laura Gagliardi. (2017) Systematic design of active spaces for multi-reference calculations of singlet–triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data. The Journal of Chemical Physics 147:16.
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Adeayo O. Ajala, Jun Shen & Piotr Piecuch. (2017) Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle–One-Hole and Four-Particle–Two-Hole Excitations. The Journal of Physical Chemistry A 121:18, pages 3469-3485.
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G. R. Jansen, M. D. Schuster, A. Signoracci, G. Hagen & P. Navrátil. (2016)
Open
-shell nuclei from first principles
. Physical Review C 94:1.
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G Hagen, M Hjorth-Jensen, G R Jansen & T Papenbrock. (2016)
Emergent properties of nuclei from
ab initio
coupled-cluster calculations
. Physica Scripta 91:6, pages 063006.
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Evgeny Epifanovsky, Kerstin Klein, Stella Stopkowicz, Jürgen Gauss & Anna I. Krylov. (2015) Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations. The Journal of Chemical Physics 143:6.
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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.
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Jesse J. Lutz & Piotr Piecuch. (2014) Performance of the completely renormalized equation-of-motion coupled-cluster method in calculations of excited-state potential cuts of water. Computational and Theoretical Chemistry 1040-1041, pages 20-34.
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