A BSSE-free SCF algorithm for intermolec
✍
I. Mayer; Á. Vibók; G. Halász; P. Valiron
📂
Article
📅
1996
🏛
John Wiley and Sons
🌐
English
⚖ 539 KB
The simple BssE-free SCF method (CHA/F) introduced in the previous parts of this series is extended to the case of three subsystems, which may be either three weakly interacting molecules or a bimolecular system described by using bond functions. The CHA/F formalism is formulated in a more transpare