On the theory underlying the Car-Parrinello method and the role of the fictitious mass parameter

Journal of Chemical Physics

Volumn 124, Issue 4, 2006, Pages

  Tangney, Paul ^a,b,c  

^a SISSA   (Italy)

^b LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC DECOUPLING; CAR-PARRINELLO METHOD; FICTITIOUS MASS PARAMETER; ORBITAL VIBRATIONAL MODES;

ERROR ANALYSIS; IONS; SET THEORY; VIBRATIONS (MECHANICAL);

MOLECULAR DYNAMICS;

EID: 31544469822     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2162893     Document Type: Article

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