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Complex regional virial relations in molecules
Author(s) -
Garcíasucre M.
Publication year - 1992
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.560440818
Subject(s) - scaling , virial theorem , virial coefficient , metastability , scaling law , statistical physics , molecule , physics , mathematics , thermodynamics , quantum mechanics , geometry , galaxy
We extend the validity of the virial theorem for complex scaling to the case in which a molecule is partitioned in different regions fulfilling certain prescribed conditions. There is a parallelism between our results for complex scaling and those of the literature for real scaling. Therefore, we extend regional virial relations useful to the treatment of bound states to the case of metastable states. © 1992 John Wiley & Sons, Inc.