Low-lying electronic states of lanthanocenes and actinocenes M(C[sub 8]H[sub 8])[sub 2] (M = Nd,

Liu, Wenjian; Dolg, Michael; Fulde, Peter
September 1997
Journal of Chemical Physics;9/1/1997, Vol. 107 Issue 9, p3584
Academic Journal
Discusses the implementation of the large-scale state-averaged multiconfiguration self-consistent field, multireference configuration interaction and averaged coupled-pair functional calculations on the ground and low-lying excited states of the metal sandwich complexes. Ground states for the lighter and heavier lanthocenese.


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