Löwdin population analysis with and without rotational invariance

International Journal of Quantum Chemistry

Volumn 106, Issue 9, 2006, Pages 2065-2072

  Bruhn, George ^a   Davidson, Ernest R ^b   Mayer, Istvan ^c   Clark, Aurora E ^d  

^a JOHNS HOPKINS UNIVERSITY   (United States)

^b UNIVERSITY OF WASHINGTON   (United States)

^c CHEMICAL RESEARCH CENTER   (Hungary)

^d WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

Charge; L ; Mulliken; Population analysis; Rotational invariance; Wdin

Indexed keywords

CHARGE; MULLIKEN; POPULATION ANALYSIS; ROTATIONAL INVARIANCE;

ACTINIDES; COMPUTATIONAL COMPLEXITY; MATHEMATICAL TRANSFORMATIONS; MOLECULAR DYNAMICS; ROTATION; TRANSITION METALS;

STATISTICAL MECHANICS;

EID: 33744486323     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20981     Document Type: Article

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