T. Gould

activity

20012026

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

128 citations · 1.2k across the 43 of their papers we have counts for

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Showing 2016Show all

3 papers · 1 filter

physics.chem-ph2016★ 24 cited

How polarizabilities and $C_{6}$ coefficients actually vary with atomic volume

Tim Gould

In this work we investigate how atomic $C_{6}$ coefficients and static dipole polarizabilities $α$ scale with effective volume. We show, using confined atoms covering rows 1-5 of the…

physics.comp-ph2016★ 121 cited

$C_{6}$ coefficients and dipole polarizabilities for all atoms and many ions in rows 1-6 of the periodic table

Tim Gould, Tomas Bucko

Using time-dependent density functional theory (tdDFT) with exchange kernels we calculate and test imaginary frequency-dependent dipole polarizabilities for all atoms and many ns i…

cond-mat.mtrl-sci2016★ 42 cited

Locality of correlation in density functional theory

Kieron Burke, Antonio Cancio, Tim Gould +1

The Hohenberg-Kohn density functional was long ago shown to reduce to the Thomas-Fermi approximation in the non-relativistic semiclassical (or large- $Z$ ) limit for all matter, i.e,…

How polarizabilities and C6​ coefficients actually vary with atomic volume

C6​ coefficients and dipole polarizabilities for all atoms and many ions in rows 1-6 of the periodic table

Locality of correlation in density functional theory

How polarizabilities and $C_{6}$ coefficients actually vary with atomic volume

$C_{6}$ coefficients and dipole polarizabilities for all atoms and many ions in rows 1-6 of the periodic table