<![CDATA[Multiwfn forum / Multiwfn now is able to calculate C6 dispersion coefficient]]> http://sobereva.com/wfnbbs/viewtopic.php?id=1007 Thu, 16 May 2024 05:00:58 +0000 FluxBB <![CDATA[Multiwfn now is able to calculate C6 dispersion coefficient]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=3822#p3822 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.

]]> Thu, 16 May 2024 05:00:58 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=3822#p3822