Skip navigation
Skip navigation

Full-Potential Linear-Muffin-Tin-Orbital Calculation of Electron Momentum Densities

Kheifets, Anatoli; Lun, D R Alan; Savrasov, S


We calculate electron momentum densities of various crystalline solids by employing the linear-muffin-tin-orbital (LMTO) method. We use three levels of approximation to the LMTO: the simplest atomic sphere approximation (ASA), the ASA with overlap correction, and the full-potential (FP) LMTO. Although the band energies calculated using the ASA and the FP-LMTO are practically the same, there is a noticeable difference in the electron momentum densities which is not cured by making a simple...[Show more]

CollectionsANU Research Publications
Date published: 1999
Type: Journal article
Source: Journal of Physics: Condensed Matter
DOI: 10.1088/0953-8984/11/35/314


There are no files associated with this item.

Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  22 January 2019/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator