Ab initio molecular dynamics calculations with simple, localized, orthonormal real-space basis sets

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 12, 2003, Pages

  Liu, Yi ^a   Yarne, Dawn ^a   Tuckerman, Mark ^b  

^a NEW YORK UNIVERSITY   (United States)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; ARTICLE; ENERGY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PERIODICITY; PHYSICS; STRUCTURE ANALYSIS; TEMPERATURE;

EID: 0242608578     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.125110     Document Type: Article

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