Individualized configuration selection in CI calculations with subsequent energy extrapolation
- 1 August 1974
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 35 (1), 33-58
- https://doi.org/10.1007/bf02394557
Abstract
No abstract availableKeywords
This publication has 15 references indexed in Scilit:
- Comparison of various CI treatments for the description of potential curves for the lowest three states of O2Chemical Physics Letters, 1972
- Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules II. The Electronic States and Spectrum of PyrazineThe Journal of Chemical Physics, 1971
- Modification of Nesbet's algorithm for the iterative evaluation of eigenvalues and eigenvectors of large matricesJournal of Computational Physics, 1970
- Electronic Wavefunctions for Atoms. III. Partition of Degenerate Spaces and Ground State of CThe Journal of Chemical Physics, 1970
- Electronic Structure and Inversion Barrier of AmmoniaThe Journal of Chemical Physics, 1970
- Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of FormaldehydeThe Journal of Chemical Physics, 1969
- 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
- Electronic Wave Functions for Atoms. I. Ground State of BePhysical Review B, 1968
- Algorithm for Diagonalization of Large MatricesThe Journal of Chemical Physics, 1965