Acceleration of the First-Principles Calculations with Population Analysis

Journal of the Physical Society of Japan

Volumn 71, Issue 1, 2002, Pages 179-182

  Tsuchida, Eiji ^a   Terakura, Kiyoyuki ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Density functional theory; FEMTECK; Population analysis; Pseudo atomic orbital

Indexed keywords

ARTICLE; ATOM; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; POPULATION RESEARCH; SURFACE CHARGE;

EID: 0036299440     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.71.179     Document Type: Article

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