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Dispersion coefficients and frequency‐dependent polarizabilities
Author(s) -
Ahlberg R.
Publication year - 2009
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.560080840
Subject(s) - cauchy distribution , dispersion (optics) , matrix (chemical analysis) , mathematics , physics , mathematical analysis , statistical physics , quantum mechanics , chemistry , chromatography
Extensions of previous methods for obtaining two‐ and three‐body dispersion coefficients are presented. Many‐dimensional arrays in inner projections are utilized. The required matrix elements are expressed in terms of atomic frequency (Cauchy) moments. Approximate dynamic polarizabilities are derived using generalized inner projections, and a number of theorems for definite operators are extended to more general cases. Numerical results for both two‐ and three‐body dispersion coefficients are reported.