Model Hessian for accelerating first-principles structure optimizations

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 10, 2003, Pages

  Fernández Serra, María V ^a,b   Artacho, Emilio ^a   Soler, José M ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACOUSTICS; ALGORITHM; ARTICLE; CALCULATION; DYNAMICS; METHODOLOGY; MOLECULE; PHYSICS; SOLID;

EID: 0037997880     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.100101     Document Type: Article

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