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Xu, Enhua, Li, Shuhua (2013) Block correlated second order perturbation theory with a generalized valence bond reference function. The Journal of Chemical Physics, 139 (17). 174111pp. doi:10.1063/1.4828739

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Reference TypeJournal (article/letter/editorial)
TitleBlock correlated second order perturbation theory with a generalized valence bond reference function
JournalThe Journal of Chemical Physics
AuthorsXu, EnhuaAuthor
Li, ShuhuaAuthor
Year2013 (November 7)Volume139
Issue17
PublisherAIP Publishing
DOIdoi:10.1063/1.4828739Search in ResearchGate
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Mindat Ref. ID2363729Long-form Identifiermindat:1:5:2363729:6
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Full ReferenceXu, Enhua, Li, Shuhua (2013) Block correlated second order perturbation theory with a generalized valence bond reference function. The Journal of Chemical Physics, 139 (17). 174111pp. doi:10.1063/1.4828739
Plain TextXu, Enhua, Li, Shuhua (2013) Block correlated second order perturbation theory with a generalized valence bond reference function. The Journal of Chemical Physics, 139 (17). 174111pp. doi:10.1063/1.4828739
In(2013, November) The Journal of Chemical Physics Vol. 139 (17) AIP Publishing

See Also

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Fang, Tao, Li, Shuhua (2007) Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: The formulation and test applications for single bond breaking. The Journal of Chemical Physics, 127 (20). 204108pp. doi:10.1063/1.2800027
Ren, Xiaochuan, Zou, Jingxiang, Li, Wei, Li, Shuhua (2024) Block-Correlated Coupled Cluster Theory Based on the Generalized Valence Bond Reference for Singlet–Triplet Energy Gaps of Strongly Correlated Systems. The Journal of Physical Chemistry Letters, 15 (45). doi:10.1021/acs.jpclett.4c02362
Chen, Zhenhua, Chen, Xun, Ying, Fuming, Gu, Junjing, Zhang, Huaiyu, Wu, Wei (2014) Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference. The Journal of Chemical Physics, 141 (13). 134118pp. doi:10.1063/1.4896534
Sejpal, Mihir, Messmer, Richard P. (2001) On the size extensivity of second-order Møller–Plesset perturbation theory based on a perfectly-paired generalized valence bond reference wavefunction. Chemical Physics, 270. 237-243 doi:10.1016/s0301-0104(01)00379-2
Shen, Jun, Li, Shuhua (2009) Block correlated coupled cluster method with the complete active-space self-consistent-field reference function: Applications for low-lying electronic excited states. The Journal of Chemical Physics, 131 (17). 174101pp. doi:10.1063/1.3256297
Parisel, O., Ellinger, Y. (1994) Second-order perturbation theory using correlated orbitals. I. Full-valence reference functions. Chemical Physics, 189. 1-16 doi:10.1016/0301-0104(94)80002-2
Han, FanHong; Ma, Pengfei; Ren, Xiaochuan; Li, Wei; Li, Shuhua (2025) Generalized Valence Bond-Based Block-Correlated Coupled Cluster Theory with up to Five-Pair Correlation for Accurate Static Correlation of Strongly Correlated Systems. The Journal of Physical Chemistry Letters, 16 (22). doi:10.1021/acs.jpclett.5c00990
Mizukami, Wataru, Tew, David P. (2013) A second-order multi-reference perturbation method for molecular vibrations. The Journal of Chemical Physics, 139 (19). 194108pp. doi:10.1063/1.4830100
Dyall, Kenneth G. (1995) The choice of a zeroth‐order Hamiltonian for second‐order perturbation theory with a complete active space self‐consistent‐field reference function. The Journal of Chemical Physics, 102 (12). 4909-4918 doi:10.1063/1.469539
Kurashige, Yuki, Chalupský, Jakub, Lan, Tran Nguyen, Yanai, Takeshi (2014) Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group. The Journal of Chemical Physics, 141 (17). 174111pp. doi:10.1063/1.4900878
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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