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Relativistic calculations on the ground and excited states of AgH and AuH in cylindrical harmonic confinement

✍ Scribed by John M. H. Lo; Mariusz Klobukowski

Book ID
105886133
Publisher
Springer
Year
2007
Tongue
English
Weight
600 KB
Volume
118
Category
Article
ISSN
1432-2234

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Relativistic and correlated all-electron
Relativistic and correlated all-electron calculations on the ground and excited states of AgH and AuH
✍ Witek, Henryk A.; Nakijima, Takahito; Hirao, Kimihiko πŸ“‚ Article πŸ“… 2000 πŸ› American Institute of Physics 🌐 English βš– 330 KB

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