One- and two-body densities of carbon isoelectronic series in their low-lying multiplet states from explicitly correlated wave functions

摘要

The ~3P ground state and both the ~1D and ~1S excited states arising from the low-lying 1s~22s~22p~2 configuration of the carbon isoelectronic series are studied starting from explicitly correlated multiconfigurational wave functions.One- and two-body densities in position space have been calculated and different one- and two-body expectation values have been obtained.The effects of electronic correlations have been systematically studied.All the calculations have been done by means of variational Monte Carlo.