Localized basis sets for unbound electrons in nanoelectronics

Simple item page
dc.creatorSoriano, D.
dc.creatorJacob, D.
dc.creatorPalacios, J. J.
dc.date2007-12-20
dc.date.accessioned2026-07-07T09:22:13Z
dc.date.available2026-07-07T09:22:13Z
dc.descriptionIt is shown how unbound electron wave functions can be expanded in a suitably chosen localized basis sets for any desired range of energies. In particular, we focus on the use of gaussian basis sets, commonly used in first-principles codes. The possible usefulness of these basis sets in a first-principles description of field emission or scanning tunneling microscopy at large bias is illustrated by studying a simpler related phenomenon: The lifetime of an electron in a H atom subjected to a strong electric field.
dc.description6 pages, 5 figures, accepted by J. Chem. Phys. (http://jcp.aip.org/)
dc.identifierhttps://arxiv.org/abs/0712.3561
dc.identifierhttp://arxiv.org/abs/0712.3561
dc.identifierJ. Chem. Phys. 128, 074108 (2008)
dc.identifierdoi:10.1063/1.2831550
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/155301
dc.subjectMesoscale and Nanoscale Physics
dc.titleLocalized basis sets for unbound electrons in nanoelectronics
dc.typetext

Files

Collections

arXiv