On the electron leak problem in orbital-free embedding calculations

Journal of Chemical Physics

Volumn 124, Issue 16, 2006, Pages

  Dułak, Marcin ^a   Wesołowski, Tomasz A ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPUTER SIMULATION; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION;

ARTIFICIAL CHARGE LEAK; DENSITY FUNCTIONAL THEORY; INTERMOLECULAR COMPLEXES; ORTHOGONALITY CONDITION;

ELECTRON EMISSION;

EID: 34547649173     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2189228     Document Type: Article

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