Journal of Physical Chemistry A, Vol.101, No.32, 5813-5817, 1997
On the Possibility of a Pseudo Atomic Ground-State for Crf2 - Ab-Initio and Crystal-Field Calculations Including Spin-Orbit-Coupling
Ab-initio and crystal field calculations including spin-orbit coupling suggest that the ground state of the CrF2 complex might have characteristics of an atomic type ground state. It is shown that the crossing of the (5) Sigma(+) and (5) Pi can be compared to a P-5 spin-orbit split atomic state.