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Fully relativistic calculations for the ground state of the AgH molecule

✍ Scribed by Mohanty, A. K.; Parpia, F. A.

Book ID
121478216
Publisher
The American Physical Society
Year
1996
Tongue
English
Weight
108 KB
Volume
54
Category
Article
ISSN
1050-2947

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We report relativistic all-electron multireference based perturbation calculations on the low-lying excited states of gold and silver hydrides. For AuH, we consider all molecular states dissociating to the Au(2S)+H(2S) and Au(2D)+H(2S) atomic limits, and for AgH, the states corresponding to the Ag(2