165 citations · 323 across the 8 of their papers we have counts for
3 papers · 1 filter
Ideal regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: towards chemical accuracy in non-trivial systems
Ravishankar Sundararaman, T. A. Arias
Hybrid density functionals show great promise for chemically-accurate first principles calculations, but their high computational cost limits their application in non-trivial studi…
A joint time-dependent density-functional theory for excited states of electronic systems in solution
Johannes Lischner, T. A. Arias
We present a novel joint time-dependent density-functional theory for the description of solute-solvent systems in time-dependent external potentials. Starting with the exact quant…
Embedding theory for excited states with inclusion of self-consistent environment screening
Johannes Lischner, Dominika Zgid, Garnet Kin-Lic Chan +1
We present a general embedding theory of electronic excitations of a relatively small, localized system in contact with an extended, chemically complex environment. We demonstrate…