TPA on CASSCF

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zlaradilara
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Joined: 25 Jan 2020, 13:58
First name(s): Dilara
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TPA on CASSCF

Post by zlaradilara » 25 Jan 2020, 14:41

Is it possible to calculate two-photon cross-sections on CASSCF level of theory in Dalton?
Haven't found this in manual, the job is aborting after SIRIUS section

hjaaj
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Re: TPA on CASSCF

Post by hjaaj » 25 Jan 2020, 21:10

The input for Two-photon absorption is exactly the same for CASSCF and for HF. Take the example for HF as template and change the wave function to CASSCF.

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