Electronic states of the copper silicide and its ions

Potential energy curves and spectroscopic parameters of the ground and exit ed states of SiCu, SiCu+, and SiCu- are presented. The calculations were pe rformed by high-level correlated methods including the relativistic correct ion for the lowest states. The present results are compared with recent the oretical and experimental studies of SiCu and its ions and support the earl ier theoretical conclusions concerning the assignment of the electronic gro und state of SiCu. According to calculations presented in this paper the lo west energy states of SiCu, SiCu+, and SiCu-, are (2)Pi(r), (1)Sigma(+), an d (3)Sigma(-), respectively. (C) 1999 American Institute of Physics. [S0021 -9606(99)30431-1].