We consider many-body effects on the band structure of solid argon within the Coulomb-hole—plus—screened-exchange approximation, and with the use of a basis set of orthogonalized plane waves. The difficulties inherent to the nonlocal character of the self-energy operator are over-come by expressing the crystal density matrix in terms of localized Gaussian functions. A major advantage of this technique is that all the matrix elements necessary to perform the correlated band-structure calculation can be computed analytically. Our results for the case of argon are compared with experiments and with previous theoretical works.

Many-body effects on the electron states of solid argon / Baroni, S.; Grosso, G.; Pastori Parravicini, G.. - In: PHYSICAL REVIEW. B, CONDENSED MATTER. - ISSN 0163-1829. - 29:6(1984), pp. 2891-2895. [10.1103/PhysRevB.29.2891]

Many-body effects on the electron states of solid argon

Baroni, S.;
1984-01-01

Abstract

We consider many-body effects on the band structure of solid argon within the Coulomb-hole—plus—screened-exchange approximation, and with the use of a basis set of orthogonalized plane waves. The difficulties inherent to the nonlocal character of the self-energy operator are over-come by expressing the crystal density matrix in terms of localized Gaussian functions. A major advantage of this technique is that all the matrix elements necessary to perform the correlated band-structure calculation can be computed analytically. Our results for the case of argon are compared with experiments and with previous theoretical works.
1984
29
6
2891
2895
Baroni, S.; Grosso, G.; Pastori Parravicini, G.
File in questo prodotto:
Non ci sono file associati a questo prodotto.

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.11767/17109
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 10
  • ???jsp.display-item.citation.isi??? 11
social impact