AB INITIO RARE GAS--GROUP II DIATOMIC POTENTIAL CURVES

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1977

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Ohio State University

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The group II (A \& B) atoms are similar to the rare gases in that the ground state is a closed shell singlet; therefore, the possibility of forming bound excited states (excimers) exists. Such systems are attractive candidates for lasers since no lower state bottlenecking is expected. Indeed the diatomic group II systems are currently under considerable laboratory scrutiny; however, no data have yet appeared in the literature. These mixed rare gas--group II system are currently under theoretical study at Livermore. Large multi-thousand term first order configuration interaction wave functions have been determined for NeBe, NeMg, MgAr, ZnNe, and ZnAr. Potential curves, transaction moments, and spectral properties will be presented. The usefulness of these systems in the context of strange laser media will be discussed.

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This work was performed under the auspices of the U.S. Energy Research and Development Administration under Contract No. W-7405-Eag-48.
Author Institution: Lawrence Livermore Laboratory, University of California

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