Electron localizability for hexagonal element structures

Journal of Computational Chemistry

Volumn 29, Issue 13, 2008, Pages 2161-2171

  Baranov, A I ^a   Kohout, M ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

Author keywords

Basin population; Electron localizability; FPLO calculation; Hexagonal elements

Indexed keywords

BASIN POPULATION; BIFURCATION DIAGRAMS; DENSITY-FUNCTIONAL CALCULATIONS; ELECTRON LOCALIZABILITY; ELECTRON LOCALIZABILITY INDICATOR; ELECTRON POPULATIONS; FPLO CALCULATION; HEXAGONAL ELEMENTS; HEXAGONAL STRUCTURES; LOCALIZABILITY;

PROBABILITY DENSITY FUNCTION;

EID: 50149122589     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20985     Document Type: Article

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