Correlation in narrow nanorods: a variational potential–configuration interaction scheme
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Título
Correlation in narrow nanorods: a variational potential–configuration interaction schemeFecha de publicación
2009Editor
Institute of PhysicsISSN
0953-8984Cita bibliográfica
PLANELLES, J., et al. Correlation in narrow nanorods: a variational potential–configuration interaction scheme. Journal of Physics: Condensed Matter, 2009, vol. 21, no 21, p. 215801.Tipo de documento
info:eu-repo/semantics/articleVersión de la editorial
https://iopscience.iop.org/article/10.1088/0953-8984/21/21/215801Versión
info:eu-repo/semantics/submittedVersionPalabras clave / Materias
Resumen
Abstract. Full configuration interaction calculations of two electrons in narrow
semiconductor nanorods are carried out employing different orbital basis sets. It
is shown that the usual configurations built from ... [+]
Abstract. Full configuration interaction calculations of two electrons in narrow
semiconductor nanorods are carried out employing different orbital basis sets. It
is shown that the usual configurations built from single-particle states cannot yield
a correct singlet-triplet energetic order regardless of the basis size, as they miss
correlation energy. Mean-field optimized orbitals partially correct this drawback. A
new approach is introduced, based on a simple variational procedure, which yields
robust results [-]
Publicado en
Journal of physics: condensed matter, 2009, v. 21, n. 21Derechos de acceso
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