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NBO analysis using CASPT2 electron density from BAGEL? #281

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NBO analysis using CASPT2 electron density from BAGEL?#281
@EvGeGr

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@EvGeGr
EvGeGr
opened on 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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