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
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
-
-
Classification
-
Physics
-
License
-
License undefined
-
Identifiers
-
-
Persistent URL
-
https://folia.unifr.ch/unifr/documents/299648