Papers
Topics
Authors
Recent
Search
2000 character limit reached

Convergence of many-body wavefunction expansions using a plane wave basis in the thermodynamic limit

Published 18 May 2016 in physics.chem-ph | (1605.05699v1)

Abstract: Basis set incompleteness error and finite size error can manifest concurrently in systems for which the two effects are phenomenologically well-separated in length scale. When this is true, we need not necessarily remove the two sources of error simultaneously. Instead, the errors can be found and remedied in different parts of the basis set. This would be of great benefit to a method such as coupled cluster theory since the combined cost of $n_{occ}6 n_{virt}4$ could be separated into $n_{occ}6$ and $n_{virt}4$ costs with smaller prefactors. In this Communication, we present analysis on a data set due to Baardsen and coworkers, containing coupled cluster doubles energies for the 2DEG for $r_s=$ 0.5, 1.0 and 2.0 a.u.~at a wide range of basis set sizes and particle numbers. In obtaining complete basis set limit thermodynamic limit results, we find that within a small and removable error the above assertion is correct for this simple system. This approach allows for the combination of methods which separately address finite size effects and basis set incompleteness error.

Summary

Paper to Video (Beta)

Whiteboard

No one has generated a whiteboard explanation for this paper yet.

Open Problems

We haven't generated a list of open problems mentioned in this paper yet.

Continue Learning

We haven't generated follow-up questions for this paper yet.

Authors (1)

Collections

Sign up for free to add this paper to one or more collections.