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2004 4
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2014 1
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Page 1
Nonorthogonal density-matrix perturbation theory.
Niklasson AM, Weber V, Challacombe M. Niklasson AM, et al. Among authors: challacombe m. J Chem Phys. 2005 Jul 22;123(4):044107. doi: 10.1063/1.1944725. J Chem Phys. 2005. PMID: 16095346
Time-reversible Born-Oppenheimer molecular dynamics.
Niklasson AM, Tymczak CJ, Challacombe M. Niklasson AM, et al. Among authors: challacombe m. Phys Rev Lett. 2006 Sep 22;97(12):123001. doi: 10.1103/PhysRevLett.97.123001. Epub 2006 Sep 18. Phys Rev Lett. 2006. PMID: 17025959
Density matrix perturbation theory.
Niklasson AM, Challacombe M. Niklasson AM, et al. Among authors: challacombe m. Phys Rev Lett. 2004 May 14;92(19):193001. doi: 10.1103/PhysRevLett.92.193001. Epub 2004 May 14. Phys Rev Lett. 2004. PMID: 15169398
Time-reversible ab initio molecular dynamics.
Niklasson AM, Tymczak CJ, Challacombe M. Niklasson AM, et al. Among authors: challacombe m. J Chem Phys. 2007 Apr 14;126(14):144103. doi: 10.1063/1.2715556. J Chem Phys. 2007. PMID: 17444697
Higher-order response in O(N) by perturbed projection.
Weber V, Niklasson AM, Challacombe M. Weber V, et al. Among authors: challacombe m. J Chem Phys. 2005 Jul 22;123(4):044106. doi: 10.1063/1.1944724. J Chem Phys. 2005. PMID: 16095345
Extended Lagrangian Born-Oppenheimer molecular dynamics with dissipation.
Niklasson AM, Steneteg P, Odell A, Bock N, Challacombe M, Tymczak CJ, Holmström E, Zheng G, Weber V. Niklasson AM, et al. Among authors: challacombe m. J Chem Phys. 2009 Jun 7;130(21):214109. doi: 10.1063/1.3148075. J Chem Phys. 2009. PMID: 19508058 Free article.
21 results