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Azar, Richard Julian, Head-Gordon, Martin (2015) Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions. The Journal of Chemical Physics, 142 (20). 204101pp. doi:10.1063/1.4921377

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Reference TypeJournal (article/letter/editorial)
TitleSimilarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions
JournalThe Journal of Chemical Physics
AuthorsAzar, Richard JulianAuthor
Head-Gordon, MartinAuthor
Year2015 (May 28)Volume142
Issue20
PublisherAIP Publishing
DOIdoi:10.1063/1.4921377Search in ResearchGate
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Mindat Ref. ID2377089Long-form Identifiermindat:1:5:2377089:2
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Full ReferenceAzar, Richard Julian, Head-Gordon, Martin (2015) Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions. The Journal of Chemical Physics, 142 (20). 204101pp. doi:10.1063/1.4921377
Plain TextAzar, Richard Julian, Head-Gordon, Martin (2015) Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions. The Journal of Chemical Physics, 142 (20). 204101pp. doi:10.1063/1.4921377
In(2015, May) The Journal of Chemical Physics Vol. 142 (20) AIP Publishing

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Azar, R. Julian, Horn, Paul Richard, Sundstrom, Eric Jon, Head-Gordon, Martin (2013) Useful lower limits to polarization contributions to intermolecular interactions using a minimal basis of localized orthogonal orbitals: Theory and analysis of the water dimer. The Journal of Chemical Physics, 138 (8). 84102pp. doi:10.1063/1.4792434
Azar, R. Julian, Head-Gordon, Martin (2012) An energy decomposition analysis for intermolecular interactions from an absolutely localized molecular orbital reference at the coupled-cluster singles and doubles level. The Journal of Chemical Physics, 136 (2). 24103pp. doi:10.1063/1.3674992
Landau, Arie (2013) Similarity transformed coupled cluster response (ST-CCR) theory - A time-dependent similarity transformed equation-of-motion coupled cluster (STEOM-CC) approach. The Journal of Chemical Physics, 139 (1). 14110pp. doi:10.1063/1.4811799
Lee, Timothy J., Head-Gordon, Martin, Rendell, Alistair P. (1995) Investigation of a diagnostic for perturbation theory. Comparison to the T1 diagnostic of coupled-cluster theory. Chemical Physics Letters, 243. 402-408 doi:10.1016/0009-2614(95)00875-5
Huntington, Lee M. J., Krupička, Martin, Neese, Frank, Izsák, Róbert (2017) Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems. The Journal of Chemical Physics, 147 (17). 174104pp. doi:10.1063/1.5001320
Horn, Paul R., Sundstrom, Eric Jon, Baker, Thomas A., Head-Gordon, Martin (2013) Unrestricted absolutely localized molecular orbitals for energy decomposition analysis: Theory and applications to intermolecular interactions involving radicals. The Journal of Chemical Physics, 138 (13). 134119pp. doi:10.1063/1.4798224
Gwaltney, Steven R., Sherrill, C. David, Head-Gordon, Martin, Krylov, Anna I. (2000) Second-order perturbation corrections to singles and doubles coupled-cluster methods: General theory and application to the valence optimized doubles model. The Journal of Chemical Physics, 113 (9). 3548-3560 doi:10.1063/1.1286597
Datta, Dipayan, Saitow, Masaaki, Sandhöfer, Barbara, Neese, Frank (2020) 57Fe Mössbauer parameters from domain based local pair-natural orbital coupled-cluster theory. The Journal of Chemical Physics, 153 (20) 204101pp. doi:10.1063/5.0022215
Seidler, Peter, Christiansen, Ove (2007) Vibrational excitation energies from vibrational coupled cluster response theory. The Journal of Chemical Physics, 126 (20). 204101pp. doi:10.1063/1.2734970
Nooijen, Marcel, Lotrich, Victor (2000) Extended similarity transformed equation-of-motion coupled cluster theory (extended-STEOM-CC): Applications to doubly excited states and transition metal compounds. The Journal of Chemical Physics, 113 (2). 494-507 doi:10.1063/1.481828
Gwaltney, Steven R., Head-Gordon, Martin (2000) A second-order correction to singles and doubles coupled-cluster methods based on a perturbative expansion of a similarity-transformed Hamiltonian. Chemical Physics Letters, 323. 21-28 doi:10.1016/s0009-2614(00)00423-1
 
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