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One-Electron Atom/Ions and Two-Electron Atoms/Ions: A QMC Study

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The International Institute for Science, Technology and Education (IISTE)
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Abstract

This paper aimed at determining the ionization energies of some one-electron (hydrogen-like) atoms/ions and some two-electron (helium-like) atoms/ions. The Quantum Monte Carlo (QMC)-CASINO code or package was utilized in the computation, employing the Variational Monte Carlo (VMC) and Diffusion Monte Carlo (DMC) methods. The calculated values obtained were in close agreement with literature values. Keywords: Ionization energy, CASINO-code, VMC, DMC.

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