Routes to full CI through extrapolation in multireference configuration calculations for electronic structures
- 1 February 1983
- journal article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 23 (2) , 613-623
- https://doi.org/10.1002/qua.560230231
Abstract
No abstract availableKeywords
This publication has 30 references indexed in Scilit:
- Many body perturbation calculations and coupled electron pair modelsComputer Physics Communications, 1979
- A semi‐empirical MO theory for ionization potentials and electron affinitiesInternational Journal of Quantum Chemistry, 1977
- Configuration Interaction Description of Electron CorrelationPublished by Springer Nature ,1974
- A configuration interaction study of the spin dipole‐dipole parameters for formaldehyde and methyleneInternational Journal of Quantum Chemistry, 1973
- An Ab Initio calculation of the spin dipole‐dipole parameters for methyleneInternational Journal of Quantum Chemistry, 1973
- Remarks on the Description of Excited Electronic States by Configuration Interaction Theory and a Study of the (π → π*1) State of H2COThe Journal of Chemical Physics, 1972
- Studies in Configuration Interaction: The First-Row Diatomic HydridesPhysical Review B, 1969
- An application of perturbation theory ideas in configuration interaction calculationsInternational Journal of Quantum Chemistry, 1968
- Configuration interaction in orbital theoriesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1955
- Electronic wave functions VIII. A calculation of the ground states Na + , Ne and F -Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1952