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Asymptotic analysis of exchange interactions
Author(s) -
Shipsey Edward J.
Publication year - 1984
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.560250511
Subject(s) - hydrogen , matrix (chemical analysis) , asymptotic expansion , center (category theory) , term (time) , asymptotic analysis , statistical physics , physics , chemistry , computational chemistry , mathematics , quantum mechanics , mathematical analysis , crystallography , chromatography
The leading term in the asymptotic expansions of the three‐center contributions to the exchange matrix elements for a system of three hydrogen atoms is derived. The approximations are used to estimate the importance of three center interactions in “spin‐aligned hydrogen”.