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Ab initio exchange‐correlation parameter in the Xα method
Author(s) -
Nagy Á.
Publication year - 1987
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.560310207
Subject(s) - correlation , statistical physics , ab initio , statistical theory , statistical model , statistical analysis , chemistry , physics , computational chemistry , statistics , mathematics , quantum mechanics , geometry
The method of statistical exchange‐correlation parameter is presented. It has been shown that there is only a small difference between the self‐consistent, the statistical, and the α HF parameters. We suggest using statistical exchange‐correlation parameters in molecular calculations.
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