Response to “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. 123, 027101 (2005)] | Zendy

John M. Herbert | Zendy; Martin HeadGordon | Zendy

Open Access

Response to “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. 123, 027101 (2005)]

Author(s) -

John M. Herbert,

Martin HeadGordon

Publication year - 2005

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1944721

Subject(s) - constraint (computer aided design) , lagrangian , ab initio , born–oppenheimer approximation , basis (linear algebra) , molecular dynamics , atom (system on chip) , physics , convergence (economics) , statistical physics , quantum mechanics , classical mechanics , mathematical physics , mathematics , molecule , computer science , geometry , economics , embedded system , economic growth

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