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#1 2024-05-16 05:00:58
Multiwfn now is able to calculate C6 dispersion coefficient
New update:
[2024-May-16] Subfunction 13 of fuzzy analysis module now is able to calculate atomic and homomolecular C6 dispersion coefficients using Tkatchenko-Scheffler method, see Section 3.18.12 of manual for introduction and Section 4.15.4 for example.
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