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Theoretical study on van der Waals and charge transfer interactions between molecules

✍ Scribed by J. Maki; T. Yoshimoto; H. Nagao; K. Nishikawa

Book ID
117537735
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
202 KB
Volume
120
Category
Article
ISSN
0379-6779

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## Abstract Presenting a relatively simple __ab initio__ method to calculate full van der Waals interaction potentials between molecules, we give rules for the optimization of basis functions which permit the reliable evaluation of second order long range interactions. Closed expressions for the lo