Ab initio calculations of molecules with efficient GTO basis sets
- 15 December 1971
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 12 (2), 392-395
- https://doi.org/10.1016/0009-2614(71)85094-7
Abstract
No abstract availableThis publication has 18 references indexed in Scilit:
- Self-Consistent Molecular Orbital Methods. X. Molecular Orbital Studies of Excited States with Minimal and Extended Basis SetsThe Journal of Chemical Physics, 1971
- Wellenmechanische Behandlung der Protonisierung von F‐ und CH3‐monosubstituierten ÄthylenenInternational Journal of Quantum Chemistry, 1970
- A floating spherical Gaussian orbital model of molecular structureTheoretical Chemistry Accounts, 1970
- Small Gaussian Expansions of Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Gaussian-Type Functions for Polyatomic Systems. IIThe Journal of Chemical Physics, 1969
- Floating Spherical Gaussian Orbital Model of Molecular Structure. I. Computational Procedure. LiH as an ExampleThe Journal of Chemical Physics, 1967
- Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and EthyleneThe Journal of Chemical Physics, 1966
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965
- Das SCF-LCGO-Verfahren. 111. Das H3 +-MolekülZeitschrift für Naturforschung A, 1965
- Bemerkungen zum Self-consistent-field-Verfahren und zur Methode der Konfigurationenwechselwirkung in der QuantenchemieZeitschrift für Naturforschung A, 1956