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
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- RERO DOC 4825
- DOI 10.1063/1.1810133
- Persistent URL
- https://folia.unifr.ch/unifr/documents/299648