The basis set effect on the results of the minimization of the total energy bifunctional E[ρa, ρB]

International Journal of Quantum Chemistry

Volumn 101, Issue 5, 2005, Pages 543-549

  Dulak, Marcin ^a   Wesolowski, Tomasz A ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

Basis sets; Orbital free embedding; Total energy bifunctional; Weak intermolecular complexes

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; CARRIER CONCENTRATION; GROUND STATE; HYDROCARBONS; MOLECULES; THEOREM PROVING;

BASIS SET; ORBITAL-FREE EMBEDDING; TOTAL ENERGY BIFUNCTIONAL; WEAK INTERMOLECULAR COMPLEXES;

KINETIC ENERGY;

EID: 13844256895     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20309     Document Type: Conference Paper

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