Analytical force constants for MCSCF wave functions
- 15 July 1983
- journal article
- letter
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 79 (2), 1088-1089
- https://doi.org/10.1063/1.445835
Abstract
No abstract availableKeywords
This publication has 13 references indexed in Scilit:
- Analytic force constants for post-Hartree–Fock wave functions: The simplest caseThe Journal of Chemical Physics, 1983
- Unified theoretical treatment of analytic first and second energy derivatives in open-shell Hartree—Fock theoryChemical Physics, 1982
- Stable methods for achieving MCSCF convergenceThe Journal of Chemical Physics, 1982
- Generalization of analytic configuration interaction (CI) gradient techniques for potential energy hypersurfaces, including a solution to the coupled perturbed Hartree–Fock equations for multiconfiguration SCF molecular wave functionsThe Journal of Chemical Physics, 1982
- On finding transition statesThe Journal of Chemical Physics, 1981
- Energy derivatives for configuration interaction wave functionsThe Journal of Chemical Physics, 1981
- Group theoretical selection rules for the transition states of chemical reactionsJournal of the American Chemical Society, 1975
- Structure of transition states. Are they symmetricAccounts of Chemical Research, 1974
- Symmetry selection rules for transition statesJournal of the American Chemical Society, 1972
- Symmetries of activated complexesTransactions of the Faraday Society, 1968