Multiwfn now is able to calculate C6 dispersion coefficient

dummy@example.com (sobereva) — Thu, 16 May 2024 05:00:58 +0000

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.

Multiwfn forum / Multiwfn now is able to calculate C6 dispersion coefficient

Multiwfn now is able to calculate C6 dispersion coefficient