An efficient and near linear scaling pair natural orbital based local coupled cluster method.

@article{Riplinger2013AnEA,
  title={An efficient and near linear scaling pair natural orbital based local coupled cluster method.},
  author={Christoph Riplinger and Frank Neese},
  journal={The Journal of chemical physics},
  year={2013},
  volume={138 3},
  pages={
          034106
        }
}
In previous publications, it was shown that an efficient local coupled cluster method with single- and double excitations can be based on the concept of pair natural orbitals (PNOs) [F. Neese, A. Hansen, and D. G. Liakos, J. Chem. Phys. 131, 064103 (2009)]. The resulting local pair natural orbital-coupled-cluster single double (LPNO-CCSD) method has since been proven to be highly reliable and efficient. For large molecules, the number of amplitudes to be determined is reduced by a factor of 10… CONTINUE READING
BETA

Similar Papers

Citations

Publications citing this paper.
SHOWING 1-10 OF 65 CITATIONS, ESTIMATED 70% COVERAGE

FILTER CITATIONS BY YEAR

2013
2019

CITATION STATISTICS

  • 2 Highly Influenced Citations

  • Averaged 15 Citations per year from 2017 through 2019