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Extended Lagrangian Born–Oppenheimer molecular dynamics with dissipation
Niklasson, Anders M. N., Steneteg, Peter, Odell, Anders, Bock, Nicolas, Challacombe, Matt, Tymczak, C. J., Holmström, Erik, Zheng, Guishan, Weber, ValeryVolume:
130
Year:
2009
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.3148075
File:
PDF, 441 KB
english, 2009