ADIABATIC POTENTIAL CURVES FOR THE KZN AND KCD EXCIMERS

Citation
E. Czuchaj et al., ADIABATIC POTENTIAL CURVES FOR THE KZN AND KCD EXCIMERS, Chemical physics letters, 218(5-6), 1994, pp. 454-461
Citations number
17
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
218
Issue
5-6
Year of publication
1994
Pages
454 - 461
Database
ISI
SICI code
0009-2614(1994)218:5-6<454:APCFTK>2.0.ZU;2-3
Abstract
Adiabatic potential curves for the ground state and several excited st ates of the KZn and KCd excimers have been calculated using the MRCI(S D) pseudopotential method. The valence electrons of the system are tre ated explicitly, whereas the atomic cores are simulated by semi-empiri cal energy adjusted pseudopotentials. The spin-orbit coupling has not been considered. Dipole moments for the transitions between the ground state and a few lowest excited states as a function of internuclear s eparation have also been calculated.