Ground and low-lying excited states of DyCl studied by the four-component relativistic configuration interaction methods

The ground and low-lying excited states of the DyCl molecule are investigated by the four-component relativistic CI methods. Electronic states are classified into so-called families by applying the f -shell Omega decomposition method to the CI wavefunctions, and the characters of the states are clar...

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Veröffentlicht in:Theoretical chemistry accounts 2018-08, Vol.137 (8), p.1-10, Article 112
Hauptverfasser: Yamamoto, Shigeyoshi, Tatewaki, Hiroshi
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Sprache:eng
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