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

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

Publisher: Elsevier Science
Year: 1992
Tongue: English
Weight: 626 KB
Volume: 199
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(92)80047-f

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✦ Synopsis

Potential energies for the ground state and several excited states ofthe RHg system have heen calculated basedon the MRCI( SD) procedure for the valence electrons, while the core electronsare represented by semi-empirical I-dependent pseudopotentials. The spin-orbit coupling has not been considered. Dipole moments for the transitions from the ground state to a few excited states as a function of internuclear separation have been evaluated

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