On the choice of orbital bases for configuration interaction
- 1 October 1988
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 89 (7) , 4170-4179
- https://doi.org/10.1063/1.454852
Abstract
No abstract availableKeywords
This publication has 9 references indexed in Scilit:
- Non-Hartree-Fock mean fields for molecules: critical testsJournal of Physics B: Atomic and Molecular Physics, 1987
- Full CI benchmark calculations on N2, NO, and O2: A comparison of methods for describing multiple bondsThe Journal of Chemical Physics, 1987
- Benchmark full configuration-interaction calculations on H2O, F, and F−The Journal of Chemical Physics, 1986
- On the choice of unperturbed hamiltonians and the convergence of perturbation seriesChemical Physics Letters, 1986
- A second order multiconfiguration SCF procedure with optimum convergenceThe Journal of Chemical Physics, 1985
- A new direct CI method for large CI expansions in a small orbital spaceChemical Physics Letters, 1984
- Full CI calculations on BH, H2O, NH3, and HFChemical Physics Letters, 1983
- Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row AtomsThe Journal of Chemical Physics, 1970
- A Note on the Quantum-Mechanical Perturbation TheoryThe Journal of Chemical Physics, 1951