On the singlet–triplet splitting in SiH2, GeH2, and SnH2. Local-spin-density calculations

Abstract

We have calculated the 1A1–3B1 splitting in SiH2, GeH2, and SnH2 using the LCGTO-LSD-VWN method. A model potential was used for Si, Ge, and Sn to describe the core electrons. The results are in good agreement with the available experimental data and compare favorably with the best CI calculations on these systems.