781 citations · 835 across the 4 of their papers we have counts for
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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
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…