Application of transfer hamiltonian quantum mechanics to multi-scale modeling

International Journal of Quantum Chemistry

Volumn 100, Issue 6, 2004, Pages 1019-1025

  Mallik, Aditi ^a   Taylor, DeCarlos E ^a   Runge, Keith ^a   Dufty, James W ^a  

^a University of Florida   (United States)

Author keywords

Embedding; Pseudoatoms; QM CM methods; Silica; Transfer hamiltonian

Indexed keywords

EMBEDDING; PSEUDOATOMS; QM/CM METHODS; TRANSFER HAMILTONIAN;

COMPUTATIONAL METHODS; EMBEDDED SYSTEMS; ENZYMES; MATHEMATICAL MODELS; NANOSTRUCTURED MATERIALS; SILICA; STRESS CORROSION CRACKING;

QUANTUM THEORY;

EID: 19944409847     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20296     Document Type: Conference Paper

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