Bell-Plesset effects for an accelerating interface with contiguous density gradients
نویسندگان
چکیده
منابع مشابه
Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units.
The modification of a general purpose code for quantum mechanical calculations of molecular properties (Q-Chem) to use a graphical processing unit (GPU) is reported. A 4.3x speedup of the resolution-of-the-identity second-order Møller-Plesset perturbation theory (RI-MP2) execution time is observed in single point energy calculations of linear alkanes. The code modification is accomplished using...
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ژورنال
عنوان ژورنال: Physics of Plasmas
سال: 2006
ISSN: 1070-664X,1089-7674
DOI: 10.1063/1.2174718