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Trace correcting density matrix extrapolation in self-consistent geometry optimization
Niklasson, Anders M. N., Challacombe, Matt, Tymczak, C. J., Németh, KárolyVolume:
132
Year:
2010
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.3351785
File:
PDF, 356 KB
english, 2010