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Volumn 14, Issue 11, 2002, Pages 2745-2779

The SIESTA method for ab initio order-N materials simulation

(7) Soler, José M a Artacho, Emilio b Gale, Julian D c García, Alberto d Junquera, Javier a,e Ordejón, Pablo f Sánchez Portal, Daniel g

a UNIVERSIDAD AUTÓNOMA DE MADRID (Spain)

b UNIVERSITY OF CAMBRIDGE (United Kingdom)

c IMPERIAL COLLEGE LONDON (United Kingdom)

d UNIVERSITY OF THE BASQUE COUNTRY UPV EHU (Spain)

e UNIVERSITY OF LIÈGE (Belgium)

f INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC (Spain)

g DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; CORRELATION METHODS; MATERIALS SCIENCE; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; STRESSES;

EXCHANGE CORRELATION POTENTIAL; HARTREE POTENTIAL; KOHN SHAM ENERGY; MATERIALS SIMULATION; SIESTA METHOD; WANNIER LIKE ELECTRON WAVEFUNCTION;

ATOMIC PHYSICS;

EID: 0037171091 PISSN: 09538984 EISSN: None Source Type: Journal
DOI: 10.1088/0953-8984/14/11/302 Document Type: Article

Times cited : (12144)

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