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Generalization of the Hylleraas functional for calculating BSSE-free intermolecular interactions: further considerations

✍ Scribed by Á. Vibók


Book ID
110378119
Publisher
Springer
Year
2000
Tongue
English
Weight
63 KB
Volume
28
Category
Article
ISSN
0259-9791

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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