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Relativistic and correlated all-electron calculations on the ground and excited states of AgH and AuH

✍ Scribed by Witek, Henryk A.; Nakijima, Takahito; Hirao, Kimihiko

Book ID
121707977
Publisher
American Institute of Physics
Year
2000
Tongue
English
Weight
330 KB
Volume
113
Category
Article
ISSN
0021-9606

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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