Keyword Multireference coupled-cluster calculations | Collection of Czechoslovak Chemical Communications

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Multireference coupled-cluster calculations

Pavel Neogrády, Péter G. Szalay, Wolfgang P. Kraemer and Miroslav Urban*
Coupled-Cluster Study of Spectroscopic Constants of the Alkali Metal Diatomics: Ground and the Singlet Excited States of Na₂, NaLi, NaK, and NaRb
2005, Vol. 70, Issue 7, pp. 951–978 [Abstract]