Dynamical correlation effects in the transition probability: A study for the atoms Li to Ar
2012 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 548, 1-6 p.Article in journal (Refereed) Published
Explicitly correlated wave functions constructed as a Jastrow correlation factor times a model function have been obtained for the ground and the first excited state of opposite parity of the atoms Li to Ar. Single and restricted multi-configuration model functions are employed. Line strength, oscillator strength and transition probabilities have been obtained. An analysis of the different correlation mechanisms considered, single particle excitations and dynamical correlations, on these quantities is carried out. All calculations have been done by using Variational Monte Carlo, except when no Jastrow is involved where calculations have been performed using the Optimized Effective Potential method. (C) 2012 Elsevier B. V. All rights reserved.
Place, publisher, year, edition, pages
2012. Vol. 548, 1-6 p.
IdentifiersURN: urn:nbn:se:uu:diva-183552DOI: 10.1016/j.cplett.2012.08.012ISI: 000308976200001OAI: oai:DiVA.org:uu-183552DiVA: diva2:575057