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Murphy, Robert B., Messmer, Richard P. (1993) A quasiparticle derivation of a zeroth‐order Hamiltonian for use in multiconfigurational perturbation theories. The Journal of Chemical Physics, 98 (12). 10102-10103 doi:10.1063/1.464401

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Reference TypeJournal (article/letter/editorial)
TitleA quasiparticle derivation of a zeroth‐order Hamiltonian for use in multiconfigurational perturbation theories
JournalThe Journal of Chemical Physics
AuthorsMurphy, Robert B.Author
Messmer, Richard P.Author
Year1993 (June 15)Volume98
Issue12
PublisherAIP Publishing
DOIdoi:10.1063/1.464401Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2201627Long-form Identifiermindat:1:5:2201627:4
GUID0
Full ReferenceMurphy, Robert B., Messmer, Richard P. (1993) A quasiparticle derivation of a zeroth‐order Hamiltonian for use in multiconfigurational perturbation theories. The Journal of Chemical Physics, 98 (12). 10102-10103 doi:10.1063/1.464401
Plain TextMurphy, Robert B., Messmer, Richard P. (1993) A quasiparticle derivation of a zeroth‐order Hamiltonian for use in multiconfigurational perturbation theories. The Journal of Chemical Physics, 98 (12). 10102-10103 doi:10.1063/1.464401
In(1993, June) The Journal of Chemical Physics Vol. 98 (12) AIP Publishing

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Murphy, Robert B., Messmer, Richard P. (1993) A generalized valence bond representation of complete‐active‐space self‐consistent‐field (CASSCF) wave functions. The Journal of Chemical Physics, 98 (10). 7958-7968 doi:10.1063/1.464550
Huron, B., Malrieu, J. P., Rancurel, P. (1973) Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth‐order wavefunctions. The Journal of Chemical Physics, 58 (12) 5745-5759 doi:10.1063/1.1679199
Ghigo, Giovanni, Roos, Björn O., Malmqvist, Per-Åke (2004) A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2). Chemical Physics Letters, 396. 142-149 doi:10.1016/j.cplett.2004.08.032
Murphy, Robert B., Messmer, Richard P. (1992) Correlation in first-row transition metal atoms using generalized Mo/ller–Plesset perturbation theory. The Journal of Chemical Physics, 97 (7). 4974-4985 doi:10.1063/1.463850
Dunietz, Barry D., Murphy, Robert B., Friesner, Richard A. (1999) Calculation of atomization energies by a multiconfigurational localized perturbation theory—Application for closed shell cases. The Journal of Chemical Physics, 110 (4). 1921-1930 doi:10.1063/1.477859
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
Murphy, Robert B., Messmer, Richard P. (1992) Generalized Mo/ller–Plesset and Epstein–Nesbet perturbation theory applied to multiply bonded molecules. The Journal of Chemical Physics, 97 (6). 4170-4184 doi:10.1063/1.463992
Murphy, Robert B., Messmer, Richard P. (1991) Generalized Møller—Plesset perturbation theory applied to general MCSCF reference wave functions. Chemical Physics Letters, 183. 443-448 doi:10.1016/0009-2614(91)90407-z
Kepenekian, Mikaël, Robert, Vincent, Le Guennic, Boris (2009) What zeroth-order Hamiltonian for CASPT2 adiabatic energetics of Fe(II)N6 architectures?. The Journal of Chemical Physics, 131 (11). 114702pp. doi:10.1063/1.3211020
Znojil, M. (1987) Perturbation theory with a tridiagonal zeroth-order hamiltonian. Physics Letters A, 120. 317-321 doi:10.1016/0375-9601(87)90722-5
Dunietz, Barry D., Friesner, Richard A. (2001) Application and development of multiconfigurational localized perturbation theory. The Journal of Chemical Physics, 115 (24). 11052-11067 doi:10.1063/1.1418442
 
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