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Stück, David, Head-Gordon, Martin (2013) Regularized orbital-optimized second-order perturbation theory. The Journal of Chemical Physics, 139 (24). 244109pp. doi:10.1063/1.4851816

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Reference TypeJournal (article/letter/editorial)
TitleRegularized orbital-optimized second-order perturbation theory
JournalThe Journal of Chemical Physics
AuthorsStück, DavidAuthor
Head-Gordon, MartinAuthor
Year2013 (December 28)Volume139
Issue24
PublisherAIP Publishing
DOIdoi:10.1063/1.4851816Search in ResearchGate
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Mindat Ref. ID2364998Long-form Identifiermindat:1:5:2364998:1
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Full ReferenceStück, David, Head-Gordon, Martin (2013) Regularized orbital-optimized second-order perturbation theory. The Journal of Chemical Physics, 139 (24). 244109pp. doi:10.1063/1.4851816
Plain TextStück, David, Head-Gordon, Martin (2013) Regularized orbital-optimized second-order perturbation theory. The Journal of Chemical Physics, 139 (24). 244109pp. doi:10.1063/1.4851816
In(2013, December) The Journal of Chemical Physics Vol. 139 (24) AIP Publishing

See Also

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Razban, Rostam M., Stück, David, Head-Gordon, Martin (2017) Addressing first derivative discontinuities in orbital-optimised opposite-spin scaled second-order perturbation theory with regularisation. Molecular Physics, 115. 2102-2109 doi:10.1080/00268976.2017.1284355
Lee, Joonho, Head-Gordon, Martin (2019) Two single-reference approaches to singlet biradicaloid problems: Complex, restricted orbitals and approximate spin-projection combined with regularized orbital-optimized Møller-Plesset perturbation theory. The Journal of Chemical Physics, 150 (24). 244106pp. doi:10.1063/1.5097613
Peverati, Roberto, Head-Gordon, Martin (2013) Orbital optimized double-hybrid density functionals. The Journal of Chemical Physics, 139 (2). 24110pp. doi:10.1063/1.4812689
Ünal, Aslı, Bozkaya, Uğur (2024) Equation-of-motion regularized orbital-optimized second-order perturbation theory with the density-fitting approximation. The Journal of Chemical Physics, 161 (11). doi:10.1063/5.0223132
Bozkaya, Uğur, Sherrill, C. David (2013) Analytic energy gradients for the orbital-optimized second-order Møller–Plesset perturbation theory. The Journal of Chemical Physics, 138 (18). 184103pp. doi:10.1063/1.4803662
Bozkaya, Uğur (2013) Analytic energy gradients for the orbital-optimized third-order Møller–Plesset perturbation theory. The Journal of Chemical Physics, 139 (10). 104116pp. doi:10.1063/1.4820877
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
Tkatchenko, Alexandre, DiStasio, Robert A., Head-Gordon, Martin, Scheffler, Matthias (2009) Dispersion-corrected Mo̸ller–Plesset second-order perturbation theory. The Journal of Chemical Physics, 131 (9). 94106pp. doi:10.1063/1.3213194
Carter-Fenk, Kevin, Head-Gordon, Martin (2023) Repartitioned Brillouin-Wigner perturbation theory with a size-consistent second-order correlation energy. The Journal of Chemical Physics, 158 (23) doi:10.1063/5.0150033
Carter-Fenk, Kevin, Shee, James, Head-Gordon, Martin (2023) Optimizing the regularization in size-consistent second-order Brillouin-Wigner perturbation theory. The Journal of Chemical Physics, 159 (17) doi:10.1063/5.0174923
Distasio JR., Robert A., Head-Gordon, Martin (2007) Optimized spin-component scaled second-order Møller-Plesset perturbation theory for intermolecular interaction energies. Molecular Physics, 105. 1073-1083 doi:10.1080/00268970701283781
 
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