Pipek-Mezey localization of occupied and virtual orbitals

Journal of Computational Chemistry

Volumn 34, Issue 17, 2013, Pages 1456-1462

  Høyvik, Ida Marie ^a   Jansik, Branislav ^b   Jørgensen, Poul ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b VSB TECHNICAL UNIVERSITY OF OSTRAVA   (Czech Republic)

Author keywords

L wdin population analysis; local orbitals; Mulliken population analysis; Pipek Mezey; trust region optimization

Indexed keywords

LOCAL ORBITALS; MULLIKEN POPULATION ANALYSIS; PIPEK-MEZEY; POPULATION ANALYSIS; TRUST REGION;

COMPUTATIONAL CHEMISTRY;

CHEMISTRY;

EID: 84878114220     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23281     Document Type: Article

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