Simple procedure for estimating the Hartree-Fock-limit energies of molecules
- 1 November 1974
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 61 (9) , 3860-3862
- https://doi.org/10.1063/1.1682581
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Properties of the benzene molecule near the Hartree-Fock limitThe Journal of Chemical Physics, 1973
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973
- Near Hartree-Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One-Electron PropertiesThe Journal of Chemical Physics, 1972
- Study of the Structure of Molecular Complexes. I. Energy Surface of a Water Molecule in the Field of a Lithium Positive IonThe Journal of Chemical Physics, 1972
- Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and HydrogenThe Journal of Chemical Physics, 1971
- Methane as a Numerical Experiment for Polarization Basis Function SelectionThe Journal of Chemical Physics, 1971
- 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
- Gaussian Basis SCF Calculations for OH−, H2O, NH3, and CH4The Journal of Chemical Physics, 1967
- Molecular Binding EnergiesJournal of the American Chemical Society, 1966
- Gaussian-Type Functions for Polyatomic Systems. IThe Journal of Chemical Physics, 1965