The optimization of MCSCF functions by application of the generalized brillouin theorem: The LiH2 potential energy surface
- 1 January 1977
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 44 (2), 97-107
- https://doi.org/10.1007/bf00549094
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
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- The synthetic construction of spin eigenfunctions in second quantization representationTheoretical Chemistry Accounts, 1975
- MC-SCF. I. The multi-configuration self-consistent-field methodThe Journal of Chemical Physics, 1973
- New Techniques for the Computation of Multiconfiguration Self-Consistent Field (MCSCF) WavefunctionsThe Journal of Chemical Physics, 1972
- Generalized brillouin theorem for multiconfigurational SCF theoriesInternational Journal of Quantum Chemistry, 1968
- A Natural Orbital Based Energy Calculation for Helium Hydride and Lithium HydrideThe Journal of Physical Chemistry, 1966