Ariadne-88: An ab initio monoconfigurational closed and open shell direct electronic energy calculation using elementary Jacobi rotations
- 31 March 1989
- journal article
- Published by Elsevier in Computer Physics Communications
- Vol. 52 (3) , 345-354
- https://doi.org/10.1016/0010-4655(89)90110-0
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Multiconfigurational calculations using Elementary Jacobi RotationsJournal of Molecular Structure: THEOCHEM, 1985
- Energy variation and elementary Jacobi rotationsJournal of Molecular Structure, 1983
- Elementary Unitary MO Transformations and SCF TheoryPublished by Elsevier ,1982
- A systematic preparation of new contracted Gaussian‐type orbital sets. III. Second‐row atoms from Li through neJournal of Computational Chemistry, 1980
- Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivativesJournal of the American Chemical Society, 1979
- Gaussian expansion method for molecular integrals of molecular propertiesInternational Journal of Quantum Chemistry, 1971
- Small Gaussian Expansions of Slater-Type OrbitalsThe Journal of Chemical Physics, 1970
- Gaussian-Expansion Methods for Molecular IntegralsJournal of the Physics Society Japan, 1966
- Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational InteractionPhysical Review B, 1955
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951