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Comment on 'Simple reversible molecular dynamics algorithms for Nose-Hoover chain dynamics' [J....
- Source :
-
Journal of Chemical Physics . 2/15/1999, Vol. 110 Issue 7, p3623. 3p. - Publication Year :
- 1999
-
Abstract
- Comments on the scientific paper 'Simple Reversible Molecular Dynamics Algorithms for Nose-Hoover Chain Dynamics,' by S. Jang and J.A. Voth. Criticism on the proposed leap-frog algorithms of Jang and Voth; Failure to consider energy conservation in the Nose-Hoover chain dynamics.
- Subjects :
- *MOLECULAR dynamics
*ENERGY conservation
*ALGORITHMS
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 110
- Issue :
- 7
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 4262347
- Full Text :
- https://doi.org/10.1063/1.478231