<![CDATA[Multiwfn forum / Fourier transform of molecular orbitals]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=358 Sun, 28 Jun 2020 21:44:37 +0000 FluxBB <![CDATA[Fourier transform of molecular orbitals]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=1224#p1224 Hi all,

Does anyone know how to computationally calculate the Fourier transform of the product of two molecular orbitals?  I have molecular orbitals at position space obtained from quantum calculations, and I need the Fourier transform of product of orbitals.

Thanks,

Mateus

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Sun, 28 Jun 2020 21:44:37 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=1224#p1224