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The treatment of correlation effects in second‐order properties
Author(s) -
Bartlett Rodney J.,
Bellum John C.,
Brändas Erkki J.
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.560070753
Subject(s) - order (exchange) , correlation , statistical physics , physics , mathematics , economics , geometry , finance
A CI perturbation approach previously shown to yield a series of rapidly converging approximations to the full a energies and eigenvectors is extended to provide a natural formulation for the treatment of correlation effects in second‐order properties. The method, which is found to have several computational advantages, is illustrated by a calculation of the parallel component of the static polarizability for H 2 .
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