Divide-and-conquer-based symmetry adapted cluster method: Synergistic effect of subsystem fragmentation and configuration selection

International Journal of Quantum Chemistry

Volumn 113, Issue 3, 2013, Pages 218-223

  Yoshikawa, Takeshi ^a   Kobayashi, Masato ^a,b   Nakai, Hiromi ^a,c  

^a WASEDA UNIVERSITY   (Japan)

^b INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

configuration selection; divide and conquer; electron correlation; linear scaling computation; symmetry adapted cluster expansion

Indexed keywords

COMPUTATIONAL COSTS; COMPUTATIONAL TIME; CONFIGURATION SELECTION; CORRELATION ENERGY; COUPLED-CLUSTER METHODS; DIVIDE AND CONQUER; LOCAL ORBITALS; RELATIVE ENERGIES; SYMMETRY ADAPTED CLUSTERS; SYNERGISTIC EFFECT; SYSTEM SIZE;

CONDENSED MATTER PHYSICS; ELECTRON CORRELATIONS; MOLECULAR PHYSICS; QUANTUM CHEMISTRY;

NUMERICAL METHODS;

EID: 84872895595     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24093     Document Type: Conference Paper

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