19 citations · 35 across the 3 of their papers we have counts for
3 papers
Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states
Md. Mehboob Alam, Killian Deur, Stefan Knecht +1
The extrapolation technique of Savin [J. Chem. Phys. 140, 18A509 (2014)], which was initially applied to range-separated ground-state-density-functional Hamiltonians, is adapted in…
Ghost interaction correction in ensemble density-functional theory for excited states with and without range separation
Md. Mehboob Alam, Stefan Knecht, Emmanuel Fromager
Ensemble density-functional theory (eDFT) suffers from the so-called "ghost interaction" error when approximate exchange-correlation functionals are used. In this work, we present…
Combining linear interpolation with extrapolation methods in range-separated ensemble density-functional theory
Bruno Senjean, Erik D. Hedegård, Md. Mehboob Alam +2
The combination of a recently proposed linear interpolation method (LIM) [Senjean et al., Phys. Rev. A 92, 012518 (2015)], which enables the calculation of weight-independent excit…