Ab initio molecular dynamics, a simple algorithm for charge extrapolation

Computer Physics Communications

Volumn 118, Issue 1, 1999, Pages 31-33

  Alfè, Dario ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CARRIER CONCENTRATION; COMPUTER SIMULATION; EXTRAPOLATION; IRON; MOLECULAR DYNAMICS;

AB INITIO MOLECULAR DYNAMICS; DENSITY FUNCTIONAL CALCULATIONS; ELECTRONIC CHARGE DENSITY; SECOND ORDER EXTRAPOLATION;

ALGORITHMS;

EID: 0033115287     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(98)00195-7     Document Type: Article

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