Computation of the hardness and the problem of negative electron affinities in density functional theory

Journal of Physical Chemistry A

Volumn 109, Issue 39, 2005, Pages 8923-8929

  Tozer, David J ^a   De Proft, Frank ^b  

^a DURHAM UNIVERSITY   (United Kingdom)

^b VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; HARDNESS; INTEGER PROGRAMMING; IONIZATION; PROBABILITY DENSITY FUNCTION;

DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; GAS PHASES;

CHARGE TRANSFER;

EID: 26844571037     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp053504y     Document Type: Article

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