Are DFT level calculations the answer to real-world molecular systems?

Computational Materials Science

Volumn 27, Issue 1-2, 2003, Pages 219-223

  Meier, Robert J ^a  

^a DSM RESEARCH   (Netherlands)

Author keywords

Ab initio; Density functional theory; Molecular simulation; Quantum methods

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

MOLECULAR SYSTEMS;

MOLECULAR DYNAMICS;

EID: 0037370149     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0927-0256(02)00448-2     Document Type: Conference Paper

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