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Fully relativistic density functional calculations of the ground and excited states of Yb, YbH, YbF, and YbO

✍ Scribed by Liu, Wenjian; Dolg, Michael; Li, Lemin

Book ID
120350618
Publisher
American Institute of Physics
Year
1998
Tongue
English
Weight
464 KB
Volume
108
Category
Article
ISSN
0021-9606

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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