Browsing College of Sciences and Mathematics by Subject "CCSD(T) interaction energies noble gas helium krypton couple-cluster single noninterative triple"
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On the accuracy of explicitly correlated coupled-cluster interaction energies - have orbital results been beaten yet?
(2020-08-20)
The basis set convergence of weak interaction energies for dimers of noble gases helium through
krypton is studied for six variants of the explicitly correlated, frozen geminal coupled-cluster singles, doubles, and ...