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Calculation of the potential energies and transition dipole moments of the CdHg pair

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

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 646 KB
Volume: 197
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)86045-j

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✦ Synopsis

Potential energies for the ground state and several excited states of the CdHg system have been calculated using the MRCI(SD) procedure for the valence electrons, while all the core electrons are represented by semi-empirical I-dependent pseudopotentials. The effect of spin-orbit coupling has not been investigated. Dipole moments for the transitions from the ground state to several lowest excited singlet states as a function of internuclear separation have also been calculated.

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