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BSSE-Free SCF Algorithm for Treating Several Weakly Interacting Systems

✍ Scribed by Halász, G.; Vibók, Á.; Valiron, P.; Mayer, I.

Book ID
125467720
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
270 KB
Volume
100
Category
Article
ISSN
0022-3654

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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