Multiconfiguration self-consistent field (MCSCF) theory for excited states
- 1 June 1973
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 58 (11), 5104-5110
- https://doi.org/10.1063/1.1679100
Abstract
An exact MCSCF theory is proposed for excited states belonging to the same symmetry species and is illustrated by actual application to some of the excited states of the CN radical.Keywords
This publication has 3 references indexed in Scilit:
- Equations-of-motion method including renormalization and double-excitation mixingThe Journal of Chemical Physics, 1973
- New Techniques for the Computation of Multiconfiguration Self-Consistent Field (MCSCF) WavefunctionsThe Journal of Chemical Physics, 1972
- Electronic Structures and Potential Energy Curves for the Low-Lying States of the CN RadicalThe Journal of Chemical Physics, 1971