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Time reversible molecular dynamics algorithms with holonomic bond constraints in the NPH and NPT ensembles using molecular scaling.
J Chem Phys. 2010 Apr 21;132(15):154106. doi: 10.1063/1.3363609.
J Chem Phys. 2010.
PMID: 20423167
Time-reversible molecular dynamics algorithms with bond constraints.
Toxvaerd S, Heilmann OJ, Ingebrigtsen T, Schrøder TB, Dyre JC.
Toxvaerd S, et al. Among authors: heilmann oj.
J Chem Phys. 2009 Aug 14;131(6):064102. doi: 10.1063/1.3194785.
J Chem Phys. 2009.
PMID: 19691373
Free article.
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NVU dynamics. I. Geodesic motion on the constant-potential-energy hypersurface.
Ingebrigtsen TS, Toxvaerd S, Heilmann OJ, Schrøder TB, Dyre JC.
Ingebrigtsen TS, et al. Among authors: heilmann oj.
J Chem Phys. 2011 Sep 14;135(10):104101. doi: 10.1063/1.3623585.
J Chem Phys. 2011.
PMID: 21932870
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Energy conservation in molecular dynamics simulations of classical systems.
Toxvaerd S, Heilmann OJ, Dyre JC.
Toxvaerd S, et al. Among authors: heilmann oj.
J Chem Phys. 2012 Jun 14;136(22):224106. doi: 10.1063/1.4726728.
J Chem Phys. 2012.
PMID: 22713035
Free article.
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Electron density near the nucleus of a large atom.
Heilmann OJ, Lieb EH.
Heilmann OJ, et al.
Phys Rev A. 1995 Nov;52(5):3628-3643. doi: 10.1103/physreva.52.3628.
Phys Rev A. 1995.
PMID: 9912664
No abstract available.
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