Localized basis sets for unbound electrons in nanoelectronics.
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.
Soriano
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Departamento de Física Aplicada, Universidad de Alicante, San Vicente del Raspeig, Alicante, Spain. dsh2@alu.ua.es
Jacob
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Palacios
J J
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