Including nonlocality in exchange-correlation kernel from time-dependent current density functional theory: Application to the stopping power of electron liquids

TL;DR

This paper introduces a new method to incorporate nonlocal effects into the exchange-correlation kernel of TDDFT by leveraging TDCDFT, leading to improved predictions of electron liquid stopping power compared to traditional local density approximations.

Contribution

The authors develop a scheme to derive a nonlocal exchange-correlation kernel for TDDFT from TDCDFT, enhancing accuracy in modeling electron liquids.

Findings

Better agreement with experimental stopping power data

Overcomes limitations of standard LDA in TDDFT

Provides a nonlocal kernel free of common contradictions

Abstract

We develop a scheme for building the scalar exchange-correlation (xc) kernel of time-dependent density functional theory (TDDFT) from the tensorial kernel of time-dependent {\em current} density functional theory (TDCDFT) and the Kohn-Sham current density response function. Resorting to the local approximation to the kernel of TDCDFT results in a nonlocal approximation to the kernel of TDDFT, which is free of the contradictions that plague the standard local density approximation (LDA) to TDDFT. As an application of this general scheme, we calculate the dynamical xc contribution to the stopping power of electron liquids for slow ions to find that our results are in considerably better agreement with experiment than those obtained using TDDFT in the conventional LDA.