title: Correlation in narrow nanorods: a variational potential-configuration interaction scheme.
abstract: Full configuration interaction calculations for 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 the 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.
authors.affiliation: Departament de Química-Física i Analítica, UJI, Box 224, E-12080 Castelló, Spain.
authors.forename: J
authors.initials: J
authors.lastname: Planelles
authors.forename: J I
authors.initials: JI
authors.lastname: Climente
authors.forename: M
authors.initials: M
authors.lastname: Royo
authors.forename: J L
authors.initials: JL
authors.lastname: Movilla