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The ab initio model potential method and the optimized orbitals for the multiconfiguration self-consistent field-configuration interaction approach

✍ Scribed by S. Huzinaga

Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 561 KB
Volume: 60
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1996)60:1<83::aid-qua9>3.0.co;2-1

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✦ Synopsis

A computational scheme is proposed for generating effective orbital sets for electron groups within the framework of the multiconfiguration self-consistent field-configuration interaction (MCSCF-CI) approach in the ab initio model potential method.