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Autor:
Vincent T. Casetti, James MacLean, Adam D. Ayoub, Rain J. Fredericks, Jacob A. Adamski, Alexander A. Rusakov
Publikováno v:
The Journal of Physical Chemistry A. 127:46-56
We present a systematic study of electron-correlation and relativistic effects in diatomic molecular species of the heaviest halogen astatine (At) within relativistic single- and multireference coupled-cluster approaches and relativistic density func