4.2 Article

Electrostatic potentials at the nucleus for isoelectronic series of light atomic ions using the QMC method in relation to DFT

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JOURNAL OF MATHEMATICAL CHEMISTRY
卷 53, 期 8, 页码 1725-1732

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SPRINGER
DOI: 10.1007/s10910-015-0514-6

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Quantum Monte Carlo; Electrostatic potential at nuclei; He, Li, Be and B ionic series

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  1. MIUR

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The electrostatic potential at the nucleus is here calculated using the quantum Monte Carlo method. Both variational and diffusion-type data are presented for four different isoelectronic series of atomic ions, namely He, Li, Be and B. These results are then utilized to evaluate the ground-state energies of such atomic ions.

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