http://sobereva.com/wfnbbs/viewtopic.php?id=215 Sat, 14 Sep 2019 10:16:21 +0000 FluxBB http://sobereva.com/wfnbbs/viewtopic.php?pid=660#p660 Multiwfn cannot calculate charge transfer integral. I plan to write an individual code specific for calculating charge transfer integral via various methods.
Note that when the unit of Multiwfn output is not explicitly mentioned, the unit is always a.u. (atomic unit)

]]> Sat, 14 Sep 2019 10:16:21 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=660#p660 http://sobereva.com/wfnbbs/viewtopic.php?pid=659#p659 Please tell me the unit of charge transfer integral calculated via Multiwfn

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