Total-energy calculations on a real space grid with localized functions and a plane-wave basis.
type: Item
instance of: scholarly article
title: Total-energy calculations on a real space grid with localized functions and a plane-wave basis.
zbMATH Open document ID: 1174.82312
DOI: 10.1016/S0010-4655(02)00461-7
author: Arash A. Mostofi
author: Chris-Kriton Skylaris
author: Peter D. Haynes
author: Mike C. Payne
published in: Computer Physics Communications
publication date: 2003-03-19T00:00:00Z
Mathematics Subject Classification ID: 82B80
zbMATH DE Number: 1884795
zbMATH Keywords: electronic structure
zbMATH Keywords: density functional theory
zbMATH Keywords: linear-scaling
zbMATH Keywords: FFT
zbMATH Keywords: systematic
zbMATH Keywords: basis set
MaRDI profile type: Publication
Wikidata QID: Q60264742
cites work: The Structure of Electronic Excitation Levels in Insulating Crystals
cites work: Analytic Properties of Bloch Waves and Wannier Functions
cites work: Some Recent Advances in Density Matrix Theory
full work available at URL: s0010-4655(02)00461-7
OpenAlex ID: W2125149439
description: scientific article; zbMATH DE number 1884795