Entanglement of electrons in interacting molecules (Articolo in rivista)

Type
Label
  • Entanglement of electrons in interacting molecules (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Maiolo, TAC; Della Sala, F; Martina, L; Soliani, G (2007)
    Entanglement of electrons in interacting molecules
    in Theoretical and mathematical physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Maiolo, TAC; Della Sala, F; Martina, L; Soliani, G (literal)
Pagina inizio
  • 1146 (literal)
Pagina fine
  • 1159 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 152 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Salento, Ist Nazl Fis Nucl, Saz Lecce, Dipartimento Fis, I-73100 Lecce, Italy; Natl Nantechnol Lab, Consiglio Nazl Ricerhce Inst Nazl Fis Mat Lecce, I-73100 Lecce, Italy (literal)
Titolo
  • Entanglement of electrons in interacting molecules (literal)
Abstract
  • We use the concept of quantum entanglement to give a physical meaning to the electron correlation energy in systems of interacting electrons. The electron correlation is not directly observable, being defined as the difference between the exact ground state energy of the many-electron Schrodinger equation and the Hartree-Fock energy. Using the configuration interaction method for the hydrogen molecule, we calculate the correlation energy and compare it with the entanglement as a function of the nucleus-nucleus separation. In the same spirit, we analyze a dimer of ethylene, which represents the simplest organic conjugate system, changing the relative orientation and distance of the molecules to obtain the configuration corresponding to maximum entanglement. (literal)
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