Fast evaluation of scaled opposite spin second-order Møller-Plesset ...
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We reduce the scaling of SOS-MP2 by exploiting the sparsity of expansion coefficients and local integral matrices, by performing local auxiliary basis ...
Apr 19, 2007 · The scaled opposite spin Møller–Plesset method (SOS-MP2) is an economical way of obtaining correlation energies that are computationally ...
Apr 19, 2007 · The scaled opposite spin Møller–Plesset method (SOS-MP2) is an economical way of obtaining correlation energies that are computationally ...
The scaled opposite spin Møller-Plesset method (SOS-MP2) is an economical way of obtaining correlation energies that are computationally cheaper, and yet, ...
A fourth order algorithm is given for evaluating the opposite spin MP2 energy using auxiliary basis expansions, and a Laplace approach, and timing comparisons ...
Nov 22, 2004 · A fourth order algorithm is given for evaluating the opposite spin MP2 energy using auxiliary basis expansions, and a Laplace approach, and ...
Missing: Fast sparsity.
The scaled opposite spin Møller–Plesset method (SOS‐MP2) is an economical way of obtaining correlation energies that are computationally cheaper, and yet, ...
Aug 4, 2005 · Fast evaluation of scaled opposite spin second‐order Møller–Plesset correlation energies using auxiliary basis expansions and exploiting ...
A 4th order algorithm is given for evaluating the opposite spin. MP2 energy using auxiliary basis expansions, and a Laplace approach, and timing comparisons.
Missing: sparsity. | Show results with:sparsity.
A 4th order algorithm is given for evaluating the opposite spin MP2 energy using auxiliary basis expansions, and a Laplace aproach, and timing comparisons are ...
Missing: sparsity. | Show results with:sparsity.