Results 201 to 210 of about 830,992 (228)
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Communication: Extended multi-state complete active space second-order perturbation theory: Energy and nuclear gradients

Journal of Chemical Physics, 2011
Toru Shiozaki   +2 more
exaly  

An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units

Journal of Chemical Physics, 2015
Edward G Hohenstein   +2 more
exaly  

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