Implementation of time-dependent density functional response equations
type: Item
instance of: scholarly article
title: Implementation of time-dependent density functional response equations
zbMATH Open document ID: 1007.81072
DOI: 10.1016/S0010-4655(99)00187-3
author: S. J. A. van Gisbergen
author: J. G. Snijders
author: E. J. Baerends
published in: Computer Physics Communications
publication date: 2002-08-28T00:00:00Z
Mathematics Subject Classification ID: 81V55
Mathematics Subject Classification ID: 81-08
zbMATH DE Number: 1790751
zbMATH Keywords: frequency-dependent polarizabilities
zbMATH Keywords: hyperpolarizabilities
zbMATH Keywords: excitation energies
zbMATH Keywords: Amsterdam density functional program
describes a project that uses: PVM
describes a project that uses: DVDSON
MaRDI profile type: Publication
cites work: Q4544242
cites work: Numerical integration for polyatomic systems
cites work: Forces in Molecules
cites work: Solution of the large matrix equations which occur in response theory
cites work: The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
cites work: A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix
cites work: Q3222352
Wikidata QID: Q127246937
full work available at URL: s0010-4655(99)00187-3
OpenAlex ID: W2110508988
description: scientific article; zbMATH DE number 1790751