A sequential Monte Carlo/Quantum Mechanics study of the dipole polarizability of liquid benzene

Journal of Computational Methods in Sciences and Engineering

Volumn 4, Issue 4, 2004, Pages 559-568

  Fileti, Eudes E ^a   Canuto, Sylvio ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

density functional theory; intermediate neglect of differential overlap (INDO); liquid benzene; Monte Carlo simulation; polarizability

Indexed keywords

BENZENE; DENSITY FUNCTIONAL THEORY; INTELLIGENT SYSTEMS; LIQUIDS; POLARIZATION; QUANTUM THEORY;

AUTOCORRELATION FUNCTIONS; DIPOLE POLARIZABILITIES; INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP; LIQUID BENZENE; MOLECULAR CONFIGURATIONS; POLARIZABILITIES; QUANTUM-MECHANICAL CALCULATION; STATISTICAL CORRELATION;

MONTE CARLO METHODS;

EID: 84855539957     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2004-4403     Document Type: Article

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