Total Energy Studies for Ferromagnetic Nickel: What is the Optimum Combination of the Multi-band Gutzwiller Method and Density Functional Theory?

Simple item page
dc.creatorOhm, T.
dc.creatorWeiser, S.
dc.creatorUmstätter, R.
dc.creatorWeber, W.
dc.creatorBünemann, J.
dc.date2001-10-22
dc.date.accessioned2026-07-07T02:43:14Z
dc.date.available2026-07-07T02:43:14Z
dc.descriptionThe multi-band Gutzwiller method, combined with calculations based on density functional theory, is employed to study total energy curves of the ferromagnetic ground state of Ni. A new method is presented which allows flow of charge between d and s, p type orbitals in an approximate way. Further it is emphasized that the missing repulsive contribution to the total energy at large magnetic moments can be estimated from an analysis of specific DFT calculations.
dc.description9 pages, 3 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0110450
dc.identifierhttp://arxiv.org/abs/cond-mat/0110450
dc.identifierJLTP, 126 (3-4): 1081-1089 Feb 2002
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/18419
dc.subjectCondensed Matter
dc.titleTotal Energy Studies for Ferromagnetic Nickel: What is the Optimum Combination of the Multi-band Gutzwiller Method and Density Functional Theory?
dc.typetext

Files

Collections

arXiv