A new determinant-based full configuration interaction method
- 1 November 1984
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 111 (4-5), 315-321
- https://doi.org/10.1016/0009-2614(84)85513-x
Abstract
No abstract availableThis publication has 10 references indexed in Scilit:
- 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
- Studies using the CASSCF wavefunctionChemical Physics, 1982
- Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for waterChemical Physics Letters, 1981
- The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO moleculeThe Journal of Chemical Physics, 1981
- Multi-root configuration interaction calculationsChemical Physics Letters, 1980
- A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approachChemical Physics, 1980
- The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matricesJournal of Computational Physics, 1975
- Group theoretical approach to the configuration interaction and perturbation theory calculations for atomic and molecular systemsThe Journal of Chemical Physics, 1974
- Algorithm for Diagonalization of Large MatricesThe Journal of Chemical Physics, 1965