An improved QM/MM approach for metals

Modelling and Simulation in Materials Science and Engineering

Volumn 15, Issue 3, 2007, Pages 275-284

  Liu, Yi ^a   Lu, Gang ^a   Chen, Zhengzheng ^a   Kioussis, Nicholas ^a  

^a CALIFORNIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CRYSTAL LATTICES; DISLOCATIONS (CRYSTALS); MOLECULAR DYNAMICS; QUANTUM THEORY;

CHEMICAL IMPURITIES; COUPLING ERRORS; PEIERLS STRESSES; QUANTUM MECHANICAL INTERACTIONS;

METAL ANALYSIS;

EID: 34147122509     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/15/3/006     Document Type: Article

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