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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 108, 2010 - Issue 19-20: Proceedings of Molecular Quantum Mechanics 2010: An International Conference in Honour of Professor Henry F. Schaefer III
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Invited Articles

Comparison of the completely renormalized equation-of-motion coupled-cluster and Quantum Monte Carlo results for the low-lying electronic states of methylene

Jeffrey R. Gour Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA
,
Piotr Piecuch Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USACorrespondence[email protected]
&
Marta Włoch Department of Chemistry, Michigan Technological University, Houghton, Michigan 49931, USA
Pages 2633-2646 | Received 16 Jun 2010, Accepted 13 Aug 2010, Published online: 08 Oct 2010

Citations (13)

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Read on this site (4)

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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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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Piotr Piecuch, Jared A. Hansen & Adeayo O. Ajala. (2015) Benchmarking the completely renormalised equation-of-motion coupled-cluster approaches for vertical excitation energies. Molecular Physics 113:19-20, pages 3085-3127.
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Jun Shen & Piotr Piecuch. (2014) Doubly electron-attached and doubly ionised equation-of-motion coupled-cluster methods with full and active-space treatments of 4-particle–2-hole and 4-hole–2-particle excitations: the role of orbital choices. Molecular Physics 112:5-6, pages 868-885.
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Articles from other publishers (9)

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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Emmanuel Giner, Anthony Scemama, Julien Toulouse & Pierre-François Loos. (2019) Chemically accurate excitation energies with small basis sets. The Journal of Chemical Physics 151:14.
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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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Pradipta Kumar Samanta, Debashis Mukherjee, Matthias Hanauer & Andreas Köhn. (2014) Excited states with internally contracted multireference coupled-cluster linear response theory. The Journal of Chemical Physics 140:13.
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Jun Shen & Piotr Piecuch. (2013) Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle–2-hole and 4-hole–2-particle excitations and their active-space extensions. The Journal of Chemical Physics 138:19.
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Kiran Bhaskaran-Nair, Wenjing Ma, Sriram Krishnamoorthy, Oreste Villa, Hubertus J. J. van Dam, Edoardo Aprà & Karol Kowalski. (2013) Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU–GPU Systems. Journal of Chemical Theory and Computation 9:4, pages 1949-1957.
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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.
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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.
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Jared A Hansen, Piotr Piecuch, Jesse J Lutz & Jeffrey R Gour. (2011) Geometries and adiabatic excitation energies of the low-lying valence states of CNC, C 2 N, N 3 and NCO studied with the electron-attached and ionized equation-of-motion coupled-cluster methodologies . Physica Scripta 84:2, pages 028110.
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