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Relativistic effects on interactions between heavy atoms: the HgHg potential

1977; Elsevier BV; Volume: 49; Issue: 3 Linguagem: Inglês

10.1016/0009-2614(77)87019-x

1873-4448

N.C. Pyper, I. P. Grant, R. B. Gerber,

Atomic and Molecular Physics

A quantitative study is made of the magnitude of relativistic effects on the HgHg potential at short and intermediate distances. The interaction potentials in the non-relativistic and relativistic frameworks are calculated by the GordonKim method using relativistic DiracFock densities in the latter case. Large differences are found between the relativistic and the non-relativistic potential (e.g. the relativistic well depth is ≈ 45% of the non-relativistic one). Relativistic corrections to the functional form of the GordonKim energy expression are also examined and found insignificant. General implications of these results to the study of relativistic effects on intermolecular forces are discussed.