Application of many-body rayleigh-schrödinger perturbation theory to calculation of ionization potentials and electron affinities

Autor: I. Hubač, V. Kvasnička, A. Holubec
Rok vydání: 1973
Předmět:
Zdroj: Chemical Physics Letters. 23:381-385
ISSN: 0009-2614
DOI: 10.1016/0009-2614(73)85103-6
Popis: The ionization potentials and electron affinities are calculated by the use of the many-body Rayleigh-Schrodinger perturbation theory. This approach is elaborated up to the third order, where each perturbation contribution can be interpreted by the diagrammatic method. Some simple illustrative calculations of π-electron systems are carried out.
Databáze: OpenAIRE