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Solvent interaction within the Hartree-Fock SCF molecular orbital formalism

✍ Scribed by Henry A. Germer

Publisher
Springer
Year
1974
Tongue
English
Weight
638 KB
Volume
34
Category
Article
ISSN
1432-2234

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## Abstract A new method is proposed for the analysis of components of molecular interaction energy within the Hartree‐Fock approximation. The Hartree‐Fock molecular orbitals of the isolated molecules are used as the basis for the construction of Fock matrix of the supermolecule. Then certain block