Internally contracted multiconfiguration-reference configuration interaction calculations for excited states
- 1 October 1992
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 84 (1-2), 95-103
- https://doi.org/10.1007/bf01117405
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- A comparison of variational and non-variational internally contracted multiconfiguration-reference configuration interaction calculationsTheoretical Chemistry Accounts, 1991
- An efficient internally contracted multiconfiguration–reference configuration interaction methodThe Journal of Chemical Physics, 1988
- An efficient method for the evaluation of coupling coefficients in configuration interaction calculationsChemical Physics Letters, 1988
- The direct CI methodMolecular Physics, 1983
- The shape-driven graphical unitary group approach to the electron correlation problem. Application to the ethylene moleculeThe Journal of Chemical Physics, 1982
- The self-consistent electron pairs method for multiconfiguration reference state functionsThe Journal of Chemical Physics, 1982
- The alchemy configuration interaction method. I. The symbolic matrix method for determining elements of matrix operatorsThe Journal of Chemical Physics, 1981
- Direct configuration interaction with a reference state composed of many reference configurationsInternational Journal of Quantum Chemistry, 1980
- Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniquesMolecular Physics, 1978
- Individualized configuration selection in CI calculations with subsequent energy extrapolationTheoretical Chemistry Accounts, 1974