Permanent electric dipole moment of strontium monofluoride as a test of the accuracy of a relativistic coupled-cluster method

The permanent electric dipole moment of the $X^2{\Sigma }^{+}$ electronic ground state of the strontium monofluoride molecule is calculated using a relativistic coupled-cluster method. Our result is compared with those of other calculations and that of experiment. Individual contributions arising from different physical effects are presented. The result obtained suggests that the relativistic coupled-cluster method used in the present work is capable of yielding accurate results for the permanent electric dipole moments of molecules for which relativistic effects cannot be ignored.

Figure 1

Goldstone diagrams for pdm: (a) DF term, (b) $D{T}_1$, (c) $T_1^{†}D{T}_1$, (d) and (e) direct and exchange diagrams, respectively, of the $T_1^{†}D{T}_2$ term, and (f) and (g) direct and exchange diagrams, respectively, of the $T_2^{†}D{T}_2$ term.