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Calculation of the interaction energies for the ZnHg and ZnCd system

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

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
654 KB
Volume
212
Category
Article
ISSN
0009-2614

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✦ Synopsis

Semi-empirical I-dependent pseudopotentials have been used in the MRCI(SD) calculation of the adiabatic potentials and dipole transition moments for the ZnHg and ZnCd pairs. Only the valence electrons of the system are treated explicitly. The atomic cores are simulated by the energy-adjusted pseudopotentials.

The spin-orbit coupling has not been considered.

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