Abstract

Fifteen electronic states of GaCl are investigated using relativistic ab initio complete active space MCSCF (CASSCF) followed by large-scale multi-reference configuration interaction calculations which included up to 1000000 configurations. Potential energy curves and spectroscopic constants of various electronic states are reported. Spectroscopic constants of eight new states are obtained which are yet to be observed. Calculated spectroscopic constants of GaCl are in accord with the experimental constants for the known states.

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