Self-Consistent Perturbation Theory. I. Finite Perturbation Methods
- 1 October 1968
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 49 (7), 2960-2964
- https://doi.org/10.1063/1.1670536
Abstract
A general method is proposed for quantum‐mechanical study of physical properties of molecules involving polarization or distortion of the electronic structure. This consists of the calculation of self‐consistent molecular orbital wavefunctions (single determinants) in the presence of small but finite perturbations. The general theory of such methods is presented together with a preliminary discussion of numerical error.Keywords
This publication has 15 references indexed in Scilit:
- Electric polarizability of polyatomic moleculesChemical Physics Letters, 1967
- Calculation of static electric polarizabilities of closed shell organic π-electron systems using a variation methodChemical Physics Letters, 1967
- Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. III. The Isoelectronic 10-Electron SeriesThe Journal of Chemical Physics, 1966
- Electric-Dipole Polarizability of Atoms by the Hartree—Fock Method. II. The Isoelectronic Two- and Four-Electron SeriesThe Journal of Chemical Physics, 1965
- Multipole Polarizabilities and Shielding Factors from Hartree-Fock Wave FunctionsPhysical Review B, 1965
- Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH MoleculeThe Journal of Chemical Physics, 1963
- Atomic polarizabilities and shielding factorsAdvances in Physics, 1962
- Hartree-Fock Equations with a Perturbing FieldPhysical Review B, 1960
- The electronic structure of conjugated systems. Parts III and IVProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1948
- Perturbation theory for the self-consistent fieldProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1941