Electric fields with ultrasoft pseudo-potentials: Applications to benzene and anthracene

Journal of Chemical Physics

Volumn 120, Issue 21, 2004, Pages 9934-9941

  Tóbik, Jaroslav ^a   Dal Corso, Andrea ^b  

^a SISSA   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BENZENE; BOUNDARY CONDITIONS; COMPUTER SIMULATION; ELECTRONIC STRUCTURE; ELECTROSTATICS; MOLECULAR DYNAMICS; PERMITTIVITY; PERTURBATION TECHNIQUES; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

ELECTRIC FIELD PERTURBATIONS; FINITE ELECTRIC FIELD (FEF); GENERALIZED GRADIENT APPROXIMATION (GGA); LOCAL DENSITY APPROXIMATIONS (LDA);

ELECTRIC FIELD EFFECTS;

EID: 2942694255     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1729853     Document Type: Article

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