Spin-orbit effects on a gold-based superatom: A relativistic Jellium model

Alvaro Muñoz-Castro, Ramiro Arratia-Perez

Resultado de la investigación: Contribución a una revistaArtículo

31 Citas (Scopus)

Resumen

The inclusion of relativistic effects always brings to the scientific community great and stimulating surprises. To consider the spin-orbit term, which accounts for the interaction between the spatial and spin coordinates, requires the use of double point groups of symmetry in order to solve the Dirac equation or the two component approximation to it, leading to total angular momenta (j) functions, atomic or molecular spinors, instead of pure orbital angular momenta (ℓ), atomic or molecular orbitals. Large and small components, derived from the Dirac treatment, depict wavefunctions corresponding to fermions, electrons, which are described for the first time for a superatom case. In addition, their behavior is revisited in order to clarify the effects of the inclusion of the spin-orbit coupling into the electronic structure calculations, which can be extended to other superatoms, clusters, molecules and atoms.

Idioma originalInglés
Páginas (desde-hasta)1408-1411
Número de páginas4
PublicaciónPhysical Chemistry Chemical Physics
Volumen14
N.º4
DOI
EstadoPublicada - 28 ene 2012

Áreas temáticas de ASJC Scopus

  • Química física y teórica
  • Física y astronomía (todo)

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