Interactive quantum chemistry: A divide-and-conquer ASED-MO method

Journal of Computational Chemistry

Volumn 33, Issue 7, 2012, Pages 779-790

  Bosson, Mäel ^a   Richard, Caroline ^a   Plet, Antoine ^a   Grudinin, Sergei ^a   Redon, Stephane ^a  

^a UNIV GRENOBLE ALPES   (France)

Author keywords

analytical toy models; ASED MO; divide and conquer; interactive quantum chemistry modeling; Linear scaling

Indexed keywords

ASED-MO; DIVIDE AND CONQUER; INTERACTIVE QUANTUM CHEMISTRY MODELING; LINEAR SCALING; TOY MODELS;

ATOMS; C (PROGRAMMING LANGUAGE); CORE LEVELS; MOLECULAR ORBITALS; PERSONAL COMPUTERS;

COMPUTER SIMULATION;

EID: 84857084591     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.22905     Document Type: Article

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