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An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units
Hohenstein, Edward G., Luehr, Nathan, Ufimtsev, Ivan S., Martínez, Todd J.Volume:
142
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4921956
Date:
June, 2015
File:
PDF, 3.48 MB
english, 2015