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Journal of Physics Condensed Matter

Volumn 14, Issue 11, 2002, Pages 2717-2744

First-principles simulation: Ideas, illustrations and the CASTEP code

(7) Segall, M D a,b Lindan, Philip J D c Probert, M J d Pickard, C J a Hasnip, P J e Clark, S J f Payne, M C a

a UNIVERSITY OF CAMBRIDGE (United Kingdom)

b Camitro UK (United Kingdom)

c UNIVERSITY OF KENT (United Kingdom)

d UNIVERSITY OF YORK (United Kingdom)

e UNIVERSITY OF CAMBRIDGE (United Kingdom)

f DURHAM UNIVERSITY (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; MATHEMATICAL MODELS; PROBABILITY DENSITY FUNCTION;

CASTEP CODE; FIRST PRINCIPLE SIMULATION;

QUANTUM THEORY;

EID: 0037171005 PISSN: 09538984 EISSN: None Source Type: Journal
DOI: 10.1088/0953-8984/14/11/301 Document Type: Article

Times cited : (11409)

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