Potential energy and hyperfine coupling constant functions for the HCS radical and some properties of the muonium isotopomer MuCS

Abstract

Ab initio molecular orbital calculations at the CISD level have been used to obtain potential energy and hyperfine coupling constant surfaces for the X²A′ electronic state of the HCS radical and its isotopomers DCS and MuCS. Although MuCS is experimentally unknown the calculations indicate that MuCS is likely to be a viable species. A value of 114.1 MHz is predicted for the reduced isotropic hyperfine coupling constant of MuCS in its lowest vibrational level.