Variational Monte Carlo for spin-orbit interacting systems (Articolo in rivista)

Type
Label
  • Variational Monte Carlo for spin-orbit interacting systems (Articolo in rivista) (literal)
Anno
  • 2012-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1103/PhysRevB.85.045115 (literal)
Alternative label
  • A. Ambrosetti, P.L. Silvestrelli, F. Toigo, L. Mitas, F. Pederiva (2012)
    Variational Monte Carlo for spin-orbit interacting systems
    in Physical review. B, Condensed matter and materials physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • A. Ambrosetti, P.L. Silvestrelli, F. Toigo, L. Mitas, F. Pederiva (literal)
Pagina inizio
  • 045115 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 85 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 4 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1. Univ Padua, Dipartimento Fis, I-35131 Padua, Italy 2. N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA 3. INFN, Grp Collegato Trento, Trento, Italy 4. Univ Trent, Dipartimento Fis, I-38123 Povo, Trento, Italy (literal)
Titolo
  • Variational Monte Carlo for spin-orbit interacting systems (literal)
Abstract
  • Recently, a diffusion Monte Carlo algorithm was applied to the study of spin-dependent interactions in condensed matter [A. Ambrosetti, F. Pederiva, E. Lipparini, and S. Gandolfi, Phys. Rev. B 80, 125306 ( 2009)]. Following some of the ideas presented therein, and applied to a Hamiltonian containing a Rashba-like interaction, a general variational Monte Carlo approach is here introduced that treats in an efficient and very accurate way the spin degrees of freedom in atoms when spin-orbit effects are included in the Hamiltonian describing the electronic structure. We illustrate the algorithm on the evaluation of the spin-orbit splittings of isolated C, Tl, Pb, Bi, and Po atoms. In the case of the carbon atom, we investigate the differences between the inclusion of the spin orbit in its realistic and effective spherically symmetrized forms. The method exhibits a very good accuracy in describing the small energy splittings, opening the way for systematic quantum Monte Carlo studies of spin-orbit effects in atomic systems. (literal)
Autore CNR

Incoming links:


Autore CNR di
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
data.CNR.it