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Nondiagonal second order intermolecular forces for interactions involving molecules
Author(s) -
Riera A.,
Meath William J.
Publication year - 1973
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560070511
Subject(s) - multipole expansion , intermolecular force , diagonal , order (exchange) , molecule , dipole , interaction energy , physics , orientation (vector space) , atom (system on chip) , atoms in molecules , point particle , quantum mechanics , chemistry , atomic physics , computational chemistry , chemical physics , mathematics , geometry , finance , computer science , economics , embedded system
Very often only “diagonal” second order energies, varying as an even power of R −1 , occur in the multipole expansion of the interaction energy. However for many molecular interactions important “nondiagonal” second order energies, varying as an odd or even power of R −1 can arise. This point is emphasized by a general discussion and by a detailed specific example, the interaction of an ionized dipolar molecule with a nondegenerate atom. Also some useful theorems, on the orientation average of various types of second order energies, are derived.