An Efficient Algorithm for Electronic-Structure Calculations

Journal of the Physical Society of Japan

Volumn 71, Issue 1, 2002, Pages 197-203

  Tsuchida, Eiji ^a  

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

Author keywords

BFGS update; Born Oppenheimer dynamics; Density functional theory; Finite element method; Quasi Newton method

Indexed keywords

ALGORITHM; ANALYTIC METHOD; ARTICLE; CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRONICS; MOLECULAR DYNAMICS; QUANTUM THEORY; STRUCTURE ANALYSIS;

EID: 0036302546     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.71.197     Document Type: Article

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