<![CDATA[Multiwfn forum / Local Electron Attachment Energy]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=828 The most recent posts in Local Electron Attachment Energy. Thu, 18 May 2023 09:52:20 +0000 FluxBB <![CDATA[Re: Local Electron Attachment Energy]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3156#p3156

I just updated Multiwfn on Multiwfn website, now Local Electron Attachment Energy has been supported as the -27th user-defined function. See Section 4.12.13 of latest Multiwfn manual for application example.

 dummy@example.com (sobereva) Thu, 18 May 2023 09:52:20 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3156#p3156 <![CDATA[Local Electron Attachment Energy]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3153#p3153

Hello to the developers, will it be possible to implement this function https://pubs.acs.org/doi/10.1021/acs.jpca.6b10142 which is analogous to the average local electron affinity (and complementary to the average local ionization energy) but without the apparent problems of using AvLocElectAff?

Thank you in advance for the answer.

Best wishes

R.

 dummy@example.com (rikaaardoss) Wed, 17 May 2023 18:13:14 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3153#p3153
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