title: Electron localizability indicators from spinor wavefunctions.
abstract: For the fully relativistic 4-component many-electron wavefunction six flavors of electron localizability indicators (ELI) have been proposed. Their counterparts, suitable for the application to the 2-component wavefunctions, have been also derived. Six proposed indicators have been tested on Ar and Rn atoms and one of them, the ELI-D for spatially antisymmetrized electron pairs, has been found to reveal atomic shell structures at quantitative level. Shell structures of all the atoms of periods 4-7 of the periodic table have been obtained using this indicator and compared with these obtained from the nonrelativistic limit calculations as well as from scalar-relativistic (zero-order regular approximation) calculations.
authors.affiliation: Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Strasse 40, 01187, Dresden, Germany.
authors.forename: Alexey I
authors.initials: AI
authors.lastname: Baranov
keywords: Coulomb hamiltonian; Dirac; atomic shell structure; electron localizability indicator; spinor wavefunctions; zero-order regular approximation calculations