𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Benchmarking a model potential for the investigation of intermolecular interactions

✍ Scribed by Candori, P; Cappelletti, D; Falcinelli, S; Pirani, F; Roncaratti, L F; Tarantelli, F; Vecchiocattivi, F

Book ID
120019968
Publisher
Royal Swedish Academy of Sciences
Year
2008
Tongue
English
Weight
572 KB
Volume
78
Category
Article
ISSN
0031-8949

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Investigation of intermolecular interact
Investigation of intermolecular interactions based on the atomic statistical model
✍ ElΕΌbieta Radzio-Andzelm πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 550 KB

## Abstract Possibilities of improving individual contributions to the statistical interaction energy (kinetic and exchange) are examined. A new method of calculating statistical interaction energies is proposed. The exchange term is calculated using a suitably modified second‐order gradient correc