Advanced multiconfiguration methods for complex atoms: I. Energies and wave functions

Forskningsoutput: TidskriftsbidragÖversiktsartikel

Abstract

Multiconfiguration wave function expansions combined with configuration interaction methods are a method of choice for complex atoms where atomic state functions are expanded in a basis of configuration state functions. Combined with a variational method such as the multiconfiguration Hartree-Fock (MCHF) or multiconfiguration Dirac-Hartree-Fock (MCDHF), the associated set of radial functions can be optimized for the levels of interest. The present review updates the variational MCHF theory to include MCDHF, describes the multireference single and double process for generating expansions and the systematic procedure of a computational scheme for monitoring convergence. It focuses on the calculations of energies and wave functions from which other atomic properties can be predicted such as transition rates, hyperfine structures and isotope shifts, for example.

Detaljer

Författare
  • Charlotte Froese Fischer
  • Michel Godefroid
  • Tomas Brage
  • Per Jönsson
  • Gediminas Gaigalas
Enheter & grupper
Externa organisationer
  • Free University of Brussels
  • National Institute of Standards and Technology (NIST)
  • Malmö University
  • Vilnius University
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Fysik

Nyckelord

Originalspråkengelska
Artikelnummer182004
TidskriftJournal of Physics B: Atomic, Molecular and Optical Physics
Volym49
Utgåva nummer18
StatusPublished - 2016 sep 7
PublikationskategoriForskning
Peer review utfördJa