Finite amplitude method in linear response TDDFT calculations

TL;DR

This paper reviews recent advances in the finite amplitude method, an efficient approach for linear response calculations in time-dependent density functional theory, including its applications to strength functions and eigenmode computations.

Contribution

It provides a comprehensive review of recent developments and techniques related to the finite amplitude method in linear response TDDFT calculations.

Findings

Enhanced computational efficiency for linear response calculations

Development of new techniques for eigenmode computation

Broader applicability to quasiparticle-RPA analyses

Abstract

The finite amplitude method is a feasible and efficient method for the linear response calculation based on the time-dependent density functional theory. It was originally proposed as a method to calculate the strength functions. Recently, new techniques have been developed for computation of normal modes (eigenmodes) of the quasiparticle-random-phase approximation. Recent advances associated with the finite amplitude method are reviewed.