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.
Electrostatic potentials at the nucleus for isoelectronic series of light atomic ions using the QMC method in relation to DFT
AMOVILLI, CLAUDIO;
2015-01-01
Abstract
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.File in questo prodotto:
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