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Computational Materials Science

Volumn 12, Issue 3, 1998, Pages 192-209

First-principles methods for tight-binding molecular dynamics

(1) Ortega, José a

a UNIVERSIDAD AUTÓNOMA DE MADRID (Spain)

Author keywords

Atomic forces; Density functional; Electronic structure; Harris functional; Local orbitals; OO LCAO; Si(111) 7 7; Water

Indexed keywords

EID: 0000774961 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/s0927-0256(98)00028-7 Document Type: Article

Times cited : (24)

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