Journal article

Investigating the M*He exciplexes, M = {Li,Na,K,Rb,Cs,Fr}: Density functional approach

  • Zbiri, Mohamed University of Fribourg
  • Daul, Claude A. University of Fribourg
    2004
Published in:
  • Journal of Chemical Physics. - 2004, vol. 121(23), p. 11625-11628
English Potential curves for the ground and the first lowest excited states of the MHe (where M = {Li,Na,K,Rb,Cs,Fr}) exciplexes are calculated using the density functional theory (DFT) formalism. Relativistic calculations are carried out with and without spin-orbit (SO) coupling effect, using a zeroth order regular approximation (ZORA) approach. The depth D<sub><i>e</i></sub> and position... Show more…
Faculty
Faculté des sciences
Department
Chimie
Language
  • English
Classification
Physics
License
License undefined
Identifiers
Persistent URL
https://folia.unifr.ch/unifr/documents/299648