DOI

The methods that are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of the Dirac-Coulomb-Breit Hamiltonian, Huzinaga-type potential, shape-consistent Relativistic Effective Core Potential (RECP), and Generalized RECP are discussed. The nonvariational technique of the electron-structure restoration in atomic cores after the RECP calculation of a molecule is presented. The features of the approaches accounting for electron correlation, the configuration interaction and coupled cluster methods, are also described. The results of calculations on E113, E114, U, and other heavy-atom systems are presented.

Original languageEnglish
Pages (from-to)1152-1162
Number of pages11
JournalPhysics of Atomic Nuclei
Volume66
Issue number6
DOIs
StatePublished - Jun 2003
Externally publishedYes

    Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Nuclear and High Energy Physics

ID: 11882364