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Volume 103, 2005 - Issue 18: A Special Issue in Honour of Professor Victor Saunders

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Multireference coupled electron-pair approximations to the multireference coupled cluster method. The MR-CEPA1 method

P. J. A. Ruttink † Theoretical Chemistry Group, Debye Institute, Utrecht University, Padualaan 14 3584 CH Utrecht, The Netherlands

J. H. Van Lenthe Theoretical Chemistry Group, Debye Institute, Utrecht University, Padualaan 14 3584 CH Utrecht, The Netherlands

P. Todorov Theoretical Chemistry Group, Debye Institute, Utrecht University, Padualaan 14 3584 CH Utrecht, The Netherlands; Department of Physical Organic Chemistry, Debye Institute, Utrecht University, Padualaan 14 3584 CH Utrecht, The NetherlandsView further author information

Pages 2497-2506 | Received 19 Feb 2004, Accepted 17 Aug 2004, Published online: 19 Aug 2006

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https://doi.org/10.1080/00268970500180725

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Abdallah Ammar, Antoine Marie, Mauricio Rodríguez-Mayorga, Hugh G. A. Burton & Pierre-François Loos. (2024) Can GW handle multireference systems? . The Journal of Chemical Physics 160:11.
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Vibin Abraham & Nicholas J. Mayhall. (2022) Coupled Electron Pair-Type Approximations for Tensor Product State Wave Functions. Journal of Chemical Theory and Computation 18:8, pages 4856-4864.
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Christian Kollmar, Kantharuban Sivalingam, Yang Guo & Frank Neese. (2021) An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices. The Journal of Chemical Physics 155:23.
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Katharina Boguslawski, Paweł Tecmer, Patrick Bultinck, Stijn De Baerdemacker, Dimitri Van Neck & Paul W. Ayers. (2014) Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function. Journal of Chemical Theory and Computation 10:11, pages 4873-4882.
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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.
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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.
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Péter G. Szalay, Thomas Müller, Gergely Gidofalvi, Hans Lischka & Ron Shepard. (2011) Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications. Chemical Reviews 112:1, pages 108-181.
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Francesco A. Evangelista. (2011) Alternative single-reference coupled cluster approaches for multireference problems: The simpler, the better. The Journal of Chemical Physics 134:22.
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Kiran Bhaskaran-Nair, Ondřej Demel, Jan Šmydke & Jiří Pittner. (2011) Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations using uncoupled approximation. The Journal of Chemical Physics 134:15.
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Francesco A. Evangelista & Jürgen Gauss. (2011) An orbital-invariant internally contracted multireference coupled cluster approach. The Journal of Chemical Physics 134:11.
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Uttam Sinha Mahapatra & Sudip Chattopadhyay. (2010) Potential energy surface studies via a single root multireference coupled cluster theory. The Journal of Chemical Physics 133:7.
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Yuriy G. Khait, Wanyi Jiang & Mark R. Hoffmann. (2010) On the inclusion of triple and quadruple electron excitations into MRCISD for multiple states. Chemical Physics Letters 493:1-3, pages 1-10.
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Francesco A. Evangelista, Eric Prochnow, Jürgen Gauss & Henry F. SchaeferIIIIII. (2010) Perturbative triples corrections in state-specific multireference coupled cluster theory. The Journal of Chemical Physics 132:7.
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Francesco A. Evangelista, Andrew C. Simmonett, Wesley D. Allen, Henry F. SchaeferIIIIII & Jürgen Gauss. (2008) Triple excitations in state-specific multireference coupled cluster theory: Application of Mk-MRCCSDT and Mk-MRCCSDT-n methods to model systems. The Journal of Chemical Physics 128:12.
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Sudip Chattopadhyay & Debasis Mukhopadhyay. (2007) Applications of linear response theories to compute the low-lying potential energy surfaces: state-specific MRCEPA-based approach. Journal of Physics B: Atomic, Molecular and Optical Physics 40:10, pages 1787-1799.
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Francesco A. Evangelista, Wesley D. Allen & Henry F. SchaeferIIIIII. (2006) High-order excitations in state-universal and state-specific multireference coupled cluster theories: Model systems. The Journal of Chemical Physics 125:15.
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Marcel Nooijen & Robert J. Le Roy. (2006) Orbital invariant single-reference coupled electron pair approximation with extensive renormalized triples correction. Journal of Molecular Structure: THEOCHEM 768:1-3, pages 25-43.
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Multireference coupled electron-pair approximations to the multireference coupled cluster method. The MR-CEPA1 method

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Multireference coupled electron-pair approximations to the multireference coupled cluster method. The MR-CEPA1 method

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