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NBO analysis using CASPT2 electron density from BAGEL? #281

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EvGeGr opened this issue Mar 19, 2024 · 0 comments

EvGeGr commented Mar 19, 2024

Hello,

I wonder if it is possible (someone tried) to use CASPT2 electron density from BAGEL in the NBO analysis?

Kind regards,
Evgeniy

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