Two avenues to self-interaction correction within Kohn—Sham theory: Unitary invariance is the shortcut

Molecular Physics

Volumn 101, Issue 9, 2003, Pages 1363-1368

  KUMMEL S ^a   Perdew, J P ^a  

^a Tulane University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; GROUND STATE; INVARIANCE; KINETIC ENERGY; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; OPTIMIZATION; PROBABILITY DENSITY FUNCTION;

GENERALIZED GRADIENT APPROXIMATIONS; LOCAL SPIN DENSITY; OPTIMIZED EFFECTIVE POTENTIAL; SELF INTERACTION CORRECTION; UNITARY INVARIANCE;

MOLECULAR PHYSICS;

EID: 0842265494     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897031000094506     Document Type: Article

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