Parallel empirical pseudopotential electronic structure calculations for million atom systems
type: Item
instance of: scholarly article
title: Parallel empirical pseudopotential electronic structure calculations for million atom systems
zbMATH Open document ID: 0963.65110
author: Yanyan Li
published in: Journal of Computational Physics
publication date: 2000-11-26T00:00:00Z
Mathematics Subject Classification ID: 65N25
Mathematics Subject Classification ID: 35P15
Mathematics Subject Classification ID: 81V45
Mathematics Subject Classification ID: 65Y05
Mathematics Subject Classification ID: 35J10
zbMATH DE Number: 1452587
zbMATH Keywords: million atom systems
zbMATH Keywords: density functional theory
zbMATH Keywords: conjugate gradients
zbMATH Keywords: pseudopotential
zbMATH Keywords: quantum dots
zbMATH Keywords: parallel computation
zbMATH Keywords: folded spectrum method
zbMATH Keywords: electronic structure
zbMATH Keywords: algorithm
zbMATH Keywords: performance
zbMATH Keywords: large semiconductor nanostructure systems
MaRDI profile type: Publication
OpenAlex ID: W1971313434
cites work: A new method for diagonalising large matrices
cites work: Q3359644
cites work: Thick-restart Lanczos method for electronic structure calculations
DOI: 10.1006/JCPH.2000.6440
description: scientific article; zbMATH DE number 1452587