Simple reversible molecular dynamics algorithms for Nosé-Hoover chain dynamics

Journal of Chemical Physics

Volumn 107, Issue 22, 1997, Pages 9514-9526

  Jang, Seogjoo ^a,b   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000300486     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475247     Document Type: Article

References (19)

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19. In the PIMD simulation of Ref. 7, this factor has been neglected. However, since the number of degrees of freedom involved in the constraint was 270, this only leads to an average error in the temperature of 0.4%.