Local density approximation for exchange in excited-state density functional theory

TL;DR

This paper introduces a local density approximation for exchange energy tailored for excited states in density-functional theory, demonstrating that accounting for state dependence yields accurate excitation energies.

Contribution

It presents a state-dependent LDA exchange functional for excited states, improving the accuracy of excitation energy calculations in density-functional theory.

Findings

Accurate excitation energies achieved with the new functional

State dependence is crucial for LDA exchange in excited states

Method enhances DFT's applicability to excited-state problems

Abstract

Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate excitation energies.