Title of article
Quartic scaling evaluation of canonical scaled opposite spin second-order Møller–Plesset correlation energy using Cholesky decompositions
Author/Authors
Aquilante، نويسنده , , Francesco and Pedersen، نويسنده , , Thomas Bondo، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2007
Pages
4
From page
354
To page
357
Abstract
The scaled opposite spin second-order Møller–Plesset (SOS-MP2) energy expression is reformulated using Cholesky decomposition of the amplitude matrix. The resulting algorithm requires an auxiliary basis or Cholesky representation of the two-electron integrals and shows fourth-order scaling with system size. Based on an analysis of operation counts, we estimate that the present approach is computationally advantageous compared to the analogous fourth-order algorithms that employ Laplace transforms.
Journal title
Chemical Physics Letters
Serial Year
2007
Journal title
Chemical Physics Letters
Record number
1923159
Link To Document