A method of incorporating quadruple correction in the scheme of multi-reference singly and doubly excited configuration interaction ? a CSF based coupled pair approximation
- 1 January 1989
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 76 (4) , 213-225
- https://doi.org/10.1007/bf00532005
Abstract
No abstract availableKeywords
This publication has 42 references indexed in Scilit:
- Quasidegenerate variational perturbation theory and the calculation of first-order properties from variational perturbation theory wave functionsThe Journal of Chemical Physics, 1988
- Full CI benchmark calculations on N2, NO, and O2: A comparison of methods for describing multiple bondsThe Journal of Chemical Physics, 1987
- C2V Insertion pathway for BeH2: A test problem for the coupled‐cluster single and double excitation modelInternational Journal of Quantum Chemistry, 1983
- A full coupled-cluster singles and doubles model: The inclusion of disconnected triplesThe Journal of Chemical Physics, 1982
- The coupled‐cluster method with a multiconfiguration reference stateInternational Journal of Quantum Chemistry, 1981
- A rapidly convergent CI expansion based on several reference configurations, using optimized correlating orbitalsThe Journal of Chemical Physics, 1981
- The alchemy configuration interaction method. I. The symbolic matrix method for determining elements of matrix operatorsThe Journal of Chemical Physics, 1981
- Electron correlation theories and their application to the study of simple reaction potential surfacesInternational Journal of Quantum Chemistry, 1978
- Matrix elements for spin‐adapted configurationsInternational Journal of Quantum Chemistry, 1974
- Electronic Correlation in Atoms and MoleculesAdvances in Chemical Physics, 1965