Exact nonadiabatic part of the Kohn-Sham potential and its fluidic approximation

M. T. Entwistle*, R. W. Godby

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


We present a simple geometrical "fluidic" approximation to the nonadiabatic part of the Kohn-Sham potential, vKS, of time-dependent density-functional theory (DFT). This part of vKS is often crucial, but most practical functionals utilize an adiabatic approach based on ground-state DFT, limiting their accuracy in many situations. For a variety of model systems, we calculate the exact time-dependent electron density and find that the fluidic approximation corrects a large part of the error arising from the "exact adiabatic" approach, even when the system is evolving far from adiabatically.

Original languageEnglish
Article number035002
Number of pages5
Issue number3
Publication statusPublished - 15 Mar 2020

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