A comparison of relativistic and electron correlation effects for (111)F, (111)H and (111)Li

Relativistic and electron correlation effects are investigated for the superheavy element compounds (111)Li, (111)H and (111)F. Relativistic effects are very large for all properties calculated and change bond lengths by more than 0.4 Å. Spin–orbit effects are important for dissociation energies but small for bond distances.