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atomic charges and spin densities

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1 week 5 days ago #1080 by sodohsunf
Hello,
 
 Is there a way to obtain and print partial atomic charges and spin densities at correlated levels (e.g. CCSD, CCSDT ) with MRCC?

Thanks.

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1 week 5 days ago #1081 by kallay
Unfortunately, currently it is not possible.

Best regards,
Mihaly Kallay

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1 week 5 days ago #1082 by sodohsunf
No worries. Thanks so much.

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