Explicitly-correlated coupled cluster method for long-range dispersion coefficients
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DOI: 10.1016/j.cplett.2017.01.049
Abstract: Abstract A method of calculation of long-range dispersion C 6 coefficients with wavefunctions, corresponding to linearly approximated explicitly correlated coupled-cluster singles and doubles [CCSD(F12)] model, has been developed. Designed approach uses CCSD(F12) wave functions for… read more here.
Keywords: range dispersion; dispersion coefficients; explicitly correlated; method ... See more keywords