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.
|Autori:||BARONI S; GROSSO G; PASTORI PARRAVICINI G|
|Titolo:||MANY-BODY EFFECTS ON THE ELECTRON-STATES OF SOLID ARGON|
|Anno del prodotto:||1984|
|Digital Object Identifier (DOI):||10.1103/PhysRevB.29.2891|
|Appare nelle tipologie:||1.1 Articolo in rivista|