Stochastic many-body perturbation theory for electron correlation energies.

  title={Stochastic many-body perturbation theory for electron correlation energies.},
  author={Zhendong Li},
  journal={The Journal of chemical physics},
  volume={151 24},
  • Zhendong Li
  • Published 1 September 2019
  • Physics
  • The Journal of chemical physics
Treating electron correlation more accurately and efficiently is at the heart of the development of electronic structure methods. In the present work, we explore the use of stochastic approaches to evaluate high-order electron correlation energies, whose conventional computational scaling is unpleasantly steep, being O(Nn+3) with respect to the system size N and the perturbation order n for the Møller-Plesset (MP) series. To this end, starting from Goldstone's time-dependent formulation of ab… 
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