Comment on "Curvy-steps approach to constraint-free extended-Lagrangian ab initio molecular dynamics, using atom-centered basis functions: convergence toward Born-Oppenheimer trajectories" [J. Chem. Phys. 121, 11542 (2004)].

Source:http://linkedlifedata.com/resource/pubmed/id/16050773

J Chem Phys 2005 Jul 8 123 2 27101; author reply 027102

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16050773