Orthogonal natural atomic orbitals form an appropriate one-electron basis for expanding CASSCF wave functions into localized bonding schemes and their weights-Reference-Cited by-同舟云学术

Orthogonal natural atomic orbitals form an appropriate one-electron basis for expanding CASSCF wave functions into localized bonding schemes and their weights

Published:2007 Issue:12 Volume:28 Page:2013-2019
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Bachler Vinzenz

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference56 articles.

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