Abstract
We discuss a stochastic implementation of Møller-Plesset (MP) theory based upon the concept of a “graph,” a set of connected Slater determinants. We show how contributions from an arbitrary level, , of perturbation theory can be expressed diagrammatically in terms of graphs, and that these may be stochastically sampled to give a good estimate of the energy. We show this to be the case for Ne, Ar, , and molecules. -molecule chains of He atoms and molecules at equilibrium and stretched geometries show an effective scaling of and for MP2 and MP3 theories.
- Received 20 April 2007
DOI:https://doi.org/10.1103/PhysRevLett.99.143001
©2007 American Physical Society