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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

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Reference TypeJournal (article/letter/editorial)
TitleIterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth‐order wavefunctions
JournalThe Journal of Chemical Physics
AuthorsHuron, B.Author
Malrieu, J. P.Author
Rancurel, P.Author
Year1973 (June 15)Volume58
Issue12
PublisherAIP Publishing
DOIdoi:10.1063/1.1679199Search in ResearchGate
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Mindat Ref. ID2087584Long-form Identifiermindat:1:5:2087584:0
GUID0
Full ReferenceHuron, 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
Plain TextHuron, 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
In(1973, June) The Journal of Chemical Physics Vol. 58 (12) AIP Publishing

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Huron, B., Rancurel, P. (1972) Iterative calculation by perturbation of the configuration interaction for fundamental state and first excited states of MgO. Chemical Physics Letters, 13. 515-520 doi:10.1016/0009-2614(72)80094-0
Huron, B., Malrieu, J.P., Rancurel, P. (1974) Perturbation calculation of transition moments. Application to H2 and MgO. Chemical Physics, 3. 277-283 doi:10.1016/0301-0104(74)80069-8
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
Lepetit, M. B., Pélissier, M., Malrieu, J. P. (1988) Origins of the poor convergence of many‐body perturbation theory expansions from unrestricted Hartree–Fock zeroth‐order descriptions. The Journal of Chemical Physics, 89 (2). 998-1008 doi:10.1063/1.455170
Gonthier, Jérôme F., Corminboeuf, Clémence (2014) Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory. The Journal of Chemical Physics, 140 (15). 154107pp. doi:10.1063/1.4871116
Lebeda, C. F., Schrader, David M. (1968) Perturbation Treatment of the Helium Ground State with Correlation in Zeroth Order. The Journal of Chemical Physics, 49 (6) 2547-2550 doi:10.1063/1.1670452
Fink, William H. (1971) Calculations of the Ground and Excited State Energies of NO2. The Journal of Chemical Physics, 54 (7) 2911-2914 doi:10.1063/1.1675272
Knox, Robert S., Olechna, Doris J. (1967) Excited‐State Wavefunctions, Excitation Energies, and Oscillator Strengths in Selenium (p4↔p3s) The Journal of Chemical Physics, 47 (12) 5226-5231 doi:10.1063/1.1701784
Malrieu, J. P. (1967) Cancellations Occurring in the Calculation of Transition Energies by a Perturbation Development of Configuration Interaction Matrices. The Journal of Chemical Physics, 47 (11) 4555-4558 doi:10.1063/1.1701667
Keijzers, C. P., Bagus, P. S., Worth, J. P. (1978) Self‐consistent field molecular orbital wavefunctions for the ground and excited states of the PMDA molecule. The Journal of Chemical Physics, 69 (9) 4032-4040 doi:10.1063/1.437124
Pelissier, M., Malrieu, J. P. (1977) Theoretical calculation of the valence excited states of the AlH molecule. The Journal of Chemical Physics, 67 (12) 5963-5965 doi:10.1063/1.434807
 
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