16 citations · 40 across the 6 of their papers we have counts for
3 papers · 1 filter
Density-corrected DFT explained: Questions and answers
Suhwan Song, Stefan Vuckovic, Eunji Sim +1
HF-DFT, the practice of evaluating approximate density functionals on Hartree-Fock densities, has long been used in testing density functional approximations. Density-corrected DFT…
Ultrafast carrier-lattice interactions and interlayer modulations of Bi2Se3 by X-ray free electron laser diffraction
Sungwon Kim, Youngsam Kim, Jaeseung Kim +20
As a 3D topological insulator, bismuth selenide (Bi2Se3) has potential applications for electrically and optically controllable magnetic and optoelectronic devices. How the carrier…
Explaining and Fixing DFT Failures for Torsional Barriers
Seungsoo Nam, Eunbyol Cho, Kieron Burke +1
Most torsional barriers are predicted to high accuracy (about 1kJ/mol) by standard semilocal functionals, but a small subset has been found to have much larger errors. We create a…