A benchmark study of Li2+, Li2−, LiH+ and LiH−: Quantum Monte-Carlo and coupled-cluster computations
Sign Up to like & getrecommendations! Published in 2017 at "Computational and Theoretical Chemistry"
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
An electrochemical study of hydrogen in molten 2LiF-BeF2 (FLiBe) with addition of LiH
Sign Up to like & getrecommendations! Published in 2020 at "Electrochimica Acta"
DOI: 10.1016/j.electacta.2020.137114
Abstract: Abstract The chemical and transport behavior of hydrogen isotopes in molten 2LiF-BeF2 (FLiBe) is of interest for the design of tritium management systems in nuclear fission and fusion reactors that use FLiBe. The chemical reaction… read more here.
Keywords: bef2 flibe; lih; hydrogen; flibe ... See more keywords