Affordable Access

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

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


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.

There are no comments yet on this publication. Be the first to share your thoughts.