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#1 Multiwfn and wavefunction analysis » Calculating deformation density without Gaussian » 2022-11-09 15:00:55

sizhuo
Replies: 1

Hello,

I'm trying to calculate the electron deformation density.

From what I saw in the document (4.4.7), Multiwfn needs to invoke Gassuan to perform the analysis (for calculating the single-electron density, I presume). I am wondering if it is possible to use other quantum chemistry software, e.g. Gamess-US, to do the same calculation?

Thanks in advance.

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