One- and two-body densities of carbon isoelectronic series in their low-lying multiplet states from explicitly correlated wave functions.
The (3)P ground state and both the (1)D and (1)S excited states arising from the low-lying 1s(2)2s(2)2p(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.
Gálvez
F J
FJ
Departamento de Física Moderna, Facultad de Ciencias, Universidad de Granada, E-18071 Granada, Spain.
Buendía
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Sarsa
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