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Adiabatic potential curves for the KZn and KCd excimers

✍ Scribed by E. Czuchaj; F. Rebentrost; H. Stoll; H. Preuss

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
604 KB
Volume
218
Category
Article
ISSN
0009-2614

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✦ Synopsis

Adiabatic potential curves for the ground state and several excited states of the KZn and KCd excimers have been calculated using the MRCI(SD) pseudopotential method. The valence electrons of the system are treated explicitly, whereas the atomic cores are simulated by semi-empirical 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 separation have also been calculated.

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