A CI procedure using SCF MOs as basis functions. Application to HNO and NCO+
- 15 April 1977
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 21 (2) , 173-186
- https://doi.org/10.1016/0301-0104(77)80012-8
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- Theoretical study of the electronic spectrum of HNO using SCF and CI calculationsChemical Physics Letters, 1975
- Some ab initio calculations related to the predissociation of the C2Σu+ state of N2+Chemical Physics Letters, 1975
- A multiconfiguration method for excited states of atoms and moleculesInternational Journal of Quantum Chemistry, 1975
- Individualized configuration selection in CI calculations with subsequent energy extrapolationTheoretical Chemistry Accounts, 1974
- Multiconfiguration self-consistent field (MCSCF) theory for excited statesThe Journal of Chemical Physics, 1973
- Combined SCF and CI Method for the Calculation of Electronically Excited States of Molecules: Potential Curves for the Low-Lying States of FormaldehydeThe Journal of Chemical Physics, 1970
- Convergence studies in configuration interaction calculationsInternational Journal of Quantum Chemistry, 1968
- Geometry of Molecules. I. Wavefunctions for Some Six- and Eight-Electron PolyhydridesThe Journal of Chemical Physics, 1966
- Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and EthyleneThe Journal of Chemical Physics, 1966
- Comparative Study of Empirical Internuclear Potential FunctionsReviews of Modern Physics, 1962