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arxiv: 0712.3561 · v1 · submitted 2007-12-20 · ❄️ cond-mat.mes-hall

Localized basis sets for unbound electrons in nanoelectronics

classification ❄️ cond-mat.mes-hall
keywords basissetselectronfieldfirst-principleslocalizedunboundatom
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It 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.

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