Correlation in narrow nanorods: a variational potential–configuration interaction scheme
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comunitat-uji-handle2:10234/7013
comunitat-uji-handle3:10234/8638
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INVESTIGACIONMetadata
Title
Correlation in narrow nanorods: a variational potential–configuration interaction schemeDate
2009Publisher
Institute of PhysicsISSN
0953-8984Bibliographic citation
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.Type
info:eu-repo/semantics/articlePublisher version
https://iopscience.iop.org/article/10.1088/0953-8984/21/21/215801Version
info:eu-repo/semantics/submittedVersionSubject
Abstract
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 [-]
Is part of
Journal of physics: condensed matter, 2009, v. 21, n. 21Rights
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