Efficient computation of the coupling matrix in time-dependent density functional theory

DOI10.1016/J.CPC.2004.12.003zbMath1196.65188OpenAlexW2014809596MaRDI QIDQ709717

Murilo L. Tiago, James R. Chelikowsky, Shivaraju B. Gowda, Yousef Saad, Emmanuel Lorin De La Grandmaison

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2004.12.003

Mathematics Subject Classification ID

Statistical mechanics of semiconductors (82D37) Numerical methods for partial differential equations, boundary value problems (65N99)

Related Items (1)

A numerical Maxwell-Schrödinger model for intense laser-matter interaction and propagation

Uses Software

• FFTW
• Unnamed Item

Cites Work

• Implementation of time-dependent density functional response equations
• Solution of large eigenvalue problems in electronic structure calculations
• ScaLAPACK Users' Guide

This page was built for publication: Efficient computation of the coupling matrix in time-dependent density functional theory