Quasiparticle band structure calculations which include the most important cationic core states in the $\mathrm{GW}$ approximation of the self-energy operator are reported for a prototype II-VI semiconductor. The most salient feature of our results for cubic CdS is the finding that the complete cationic $N$ shell needs to be included in the pseudopotential and in the self-energy in order to obtain reasonable $\mathrm{GW}$ results in agreement with experiment.

• Received 21 June 1995

DOI:https://doi.org/10.1103/PhysRevLett.75.3489