3.2k citations · 6k across the 17 of their papers we have counts for
Showing 2019 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2019★ 12 cited
On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy
Fabien Tran, Jan Doumont, Peter Blaha +3
During the last few years, it has become more and more clear that functionals of the meta generalized gradient approximation (MGGA) are more accurate than GGA functionals for the g…
cond-mat.mtrl-sci2019★ 299 cited
Regularized SCAN functional
Albert P. Bartók, Jonathan R. Yates
We propose modifications to the functional form of the SCAN density functional to eliminate numerical instabilities. This is necessary to allow reliable, automatic generation of ps…