output
20022024
most citedAssessing the Performance of Recent Density Functionals for Bulk Solids

1k citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2017 · physics.chem-phShow all

2 papers · 2 filters

physics.chem-ph2017★ 8 cited

Casimir-Polder size consistency -- a constraint violated by some dispersion theories

Tim Gould, Julien Toulouse, János Ángyán +1

A key goal in quantum chemistry methods, whether ab initio or otherwise, is to achieve size consistency. In this manuscript we formulate the related idea of "Casimir-Polder size co…

physics.chem-ph2017★ 128 cited

A fractionally ionic approach to polarizability and van der Waals many-body dispersion calculations

Tim Gould, Sébastien Lebègue, János G. Ángyán +1

By explicitly including fractionally ionic contributions to the polarizability of a many-component system we are able to significantly improve on previous atom-wise many-body van d…