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External electric field

sodohsunf
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1 month 3 weeks ago #1475 by sodohsunf

External electric field was created by sodohsunf

Hello,

Thank you for this wonderful software package. It has been tremendously useful to us for several years now.

I have a question. Is it currently possible in MRCC to perform calculations in the presence of an external electric field? For example, we would like to compute excitation energies with CC2, in an electric field? If it is currently not possible, is it on your radar as part of future developments?

Thanks,
S.

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kallay
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Mihaly Kallay

1 month 3 weeks ago #1476 by kallay

Replied by kallay on topic External electric field

You can add an external field using the epert keyword. Please see the description of the keyword in the manual.

Best regards,
Mihaly Kallay

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sodohsunf
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1 month 3 weeks ago #1478 by sodohsunf

Replied by sodohsunf on topic External electric field

Amazing!! Thank you!

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External electric field

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