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cond-mat.mtrl-sci2008★ 66 cited
All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe
A. Ma, N. D. Drummond, M. D. Towler +1
We report all-electron variational and diffusion quantum Monte Carlo (VMC and DMC) calculations for the noble gas atoms He, Ne, Ar, Kr, and Xe. The calculations were performed usin…
cond-mat.mtrl-sci2008★ 40 cited
Quantum Monte Carlo study of the Ne atom and the Ne+ ion
N. D. Drummond, P. Lopez Rios, A. Ma +4
We report all-electron and pseudopotential calculations of the ground-stateenergies of the neutral Ne atom and the Ne+ ion using the variational and diffusion quantum Monte Carlo (…