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Relativistic and correlated calculations on the ground and excited states of ThO

✍ Scribed by Paulovič, Jozef; Nakajima, Takahito; Hirao, Kimihiko; Lindh, Roland; Malmqvist, Per Åke

Book ID
120583580
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
359 KB
Volume
119
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 📂 Article 📅 2000 🏛 American Institute of Physics 🌐 English ⚖ 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