A benchmark study of Li2+, Li2−, LiH+ and LiH−: Quantum Monte-Carlo and coupled-cluster computations
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DOI: 10.1016/j.comptc.2017.05.015
Abstract: Abstract For the first time, very accurate potential energy curves (PEC) have been computed by the all electron Diffusion Quantum Monte-Carlo (DMC) and CCSD(T) methods for the ground-state of the Li 2 + , Li… read more here.
Keywords: lih lih; monte carlo; quantum monte; lih ... See more keywords