✦ LIBER ✦

Generalized Jansen's perturbation theory for exchange interactions between aroms or molecules

✍ Scribed by Noboru Suzuki

Publisher: John Wiley and Sons
Year: 1977
Tongue: English
Weight: 439 KB
Volume: 12
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560120104

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✦ Synopsis

Abstract

The theory for treating exchange interactions between atoms or molecules as a perturbation, which was first propoed by Jansen, is extended to general cases by the use of the group algebraic technique and a nonorthogonal basis set. As a result, a new expresion for the perturbation ket and energy of each order is obtained. A comparion of the expression with those presented by other investigators is made.

📜 SIMILAR VOLUMES

Exchange interactions between atoms or m

Exchange interactions between atoms or molecules in different perturbation formalisms. Application to three-atom exchange forces

✍ L. Jansen; E. Lombardi 📂 Article 📅 1967 🏛 Elsevier Science 🌐 English ⚖ 366 KB

## An explicit comparison is made between first-and second-order perturbation expressions for exchange interactions given by the Eisenschitz-London-Van der Avoird formalism and by a Schrocdinger-type procedure. Relative three-atom exchange interactions are found to be very similar in the two forma