✦ LIBER ✦

Modification of virtual orbitals

✍ Scribed by Nelson H. F. Beebe

Publisher: John Wiley and Sons
Year: 1979
Tongue: English
Weight: 663 KB
Volume: 15
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560150605

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

The utility of modifying the virtual orbitals of the Fock operator by introducition of an additional potential is discussed. A particularly convenient form for computational implementations is obtained, and improved methods for the practical solution of the secular problem are recommended.

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