An inversion technique for the calculation of embedding potentials

Journal of Chemical Physics

Volumn 129, Issue 18, 2008, Pages

  Roncero, O ^a   De Lara Castells, M P ^a   Villarreal, P ^a   Flores, F ^b   Ortega, J ^b   Paniagua, M ^b   Aguado, A ^b  

^a INSTITUTO DE FÍSICA FUNDAMENTAL   (Spain)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; HYDROGEN; MOLECULAR ORBITALS; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

CORRELATION FUNCTIONAL; DENSITY DIFFERENCES; DENSITY FUNCTIONALS; DRIVING FORCES; ELECTRONIC CORRELATIONS; EMBEDDING METHODS; EMBEDDING POTENTIALS; ENERGY CONTRIBUTIONS; EXACT CALCULATIONS; EXTENDED SYSTEMS; HYDROGEN CHAINS; INVERSION TECHNIQUES; LARGE SYSTEMS; LOCAL CORRELATIONS; LOCALIZED MOLECULAR ORBITALS; SUB SYSTEMS; VAN DER WAALS INTERACTIONS; WHOLE SYSTEMS;

DENSITY FUNCTIONAL THEORY;

EID: 56349122041     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3007987     Document Type: Article

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