Formulas are given allowing the calculation of electronic molecular energy up to the third-order in a perturbation theory using fully localized bond orbitals with zero differential overlap between them. The method is applied to small molecules using the CNDO approximations of Pople and Segal.
|Original language||English (US)|
|Number of pages||11|
|Journal||Theoretica Chimica Acta|
|State||Published - Jan 1969|
All Science Journal Classification (ASJC) codes