Field theoretic approach to dynamical orbital localization in ab initio molecular dynamics

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 12, 2004, Pages

  Thomas, Jordan W ^a,c   Iftimie, Radu ^a   Tuckerman, Mark E ^b  

^a NEW YORK UNIVERSITY   (United States)

^b NEW YORK UNIVERSITY   (United States)

^c HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROCHLORIC ACID; WATER;

ARTICLE; CALCULATION; CHEMICAL MODIFICATION; KINETICS; MOLECULAR DYNAMICS; MOLECULAR STABILITY; QUANTUM THEORY; REACTION ANALYSIS; TECHNIQUE;

EID: 2342420344     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.125105     Document Type: Article

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