Derivative discontinuities in density functional theory

Molecular Physics

Volumn 112, Issue 23, 2014, Pages 2997-3013

  Mosquera, Martín A ^a   Wasserman, Adam ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

density functional theory; derivative discontinuity; exchange correlation energy; fractional number of electrons; molecular dissociation

Indexed keywords

ELECTRON GAS; ELECTRONS;

DENSITY FUNCTIONAL APPROXIMATIONS; DERIVATIVE DISCONTINUITY; EXCHANGE CORRELATION ENERGY; EXCHANGE CORRELATIONS; FRACTIONAL NUMBERS; MATHEMATICAL MAPPING; MOLECULAR DISSOCIATION; QUANTUM ELECTRON GAS;

DENSITY FUNCTIONAL THEORY;

EID: 84918836984     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2014.968650     Document Type: Review

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