A quadratically convergent reference state optimization procedure
- 1 September 1979
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 65 (3) , 559-563
- https://doi.org/10.1016/0009-2614(79)80291-2
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Optimization of orbitals for multiconfigurational reference statesThe Journal of Chemical Physics, 1978
- Multiconfiguration wavefunctions for excited states. Selection of optimal configurations: The b 1Σ+ and d 1Σ+ states of NHThe Journal of Chemical Physics, 1977
- A computational method of performing MC SCF calculations using bonded functionsChemical Physics Letters, 1976
- Multiconfiguration self-consistent wavefunctions for CH4, C2H4 and C2H6Chemical Physics Letters, 1973
- Multiconfiguration wavefunctions obtained by application of the generalized Brillouin theoremChemical Physics Letters, 1971
- Generalized brillouin theorem for multiconfigurational SCF theoriesInternational Journal of Quantum Chemistry, 1968
- Stability Conditions for the Solutions of the Hartree—Fock Equations for Atomic and Molecular Systems. Application to the Pi-Electron Model of Cyclic PolyenesThe Journal of Chemical Physics, 1967
- Complete multi-configuration self-consistent field theoryTheoretical Chemistry Accounts, 1967
- A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. IIThe Journal of Chemical Physics, 1953
- Electron interaction in unsaturated hydrocarbonsTransactions of the Faraday Society, 1953