<![CDATA[Multiwfn forum / Intrinsic Atomic Orbitals analysis in Multiwfn]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=247 Thu, 21 Nov 2019 10:28:24 +0000 FluxBB <![CDATA[Re: Intrinsic Atomic Orbitals analysis in Multiwfn]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=760#p760 I noticed this method before, but I tend to first implement natural population analysis (NPA), which can generate natural atomic orbitals as a byproduct, I believe this is more meaningful than IAO.

]]> Thu, 21 Nov 2019 10:28:24 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=760#p760 <![CDATA[Intrinsic Atomic Orbitals analysis in Multiwfn]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=759#p759 Hi,

Is there any plan to support Gerald Knizia's Intrinsic Atomic Orbitals analysis  in Multiwfn?

https://pubs.acs.org/doi/10.1021/ct400687b

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