High-accuracy coupled cluster calculations of atomic properties

A. Borschevsky, H. Yakobi, E. Eliav, U. Kaldor

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm -1 , the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.

Original languageEnglish
Title of host publicationProceedings of the International Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010
EditorsTheodore E. Simos, Theodore E. Simos, George Maroulis, Theodore E. Simos, Theodore E. Simos
PublisherAmerican Institute of Physics Inc.
Pages209-212
Number of pages4
ISBN (Electronic)9780735412828
DOIs
StatePublished - 2015
EventInternational Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010 - Psalidi, Kos, Greece
Duration: 3 Oct 20108 Oct 2010

Publication series

NameAIP Conference Proceedings
Volume1642
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

ConferenceInternational Conference of Computational Methods in Sciences and Engineering 2010, ICCMSE 2010
Country/TerritoryGreece
CityPsalidi, Kos
Period3/10/108/10/10

Keywords

  • Relativistic coupled cluster
  • atomic polarizabilities
  • heavy element spectra
  • nuclear quadrupole moments

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