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#1 2022-08-04 14:59:47
- jiris
- Member
- Registered: 2022-08-04
- Posts: 1
Two-photon transitions
Based on several articles I gathered that two-photon absorption intensities calculation for the CASSCF wavefunction should be possible. However, only mention in the manual is in the &MCLR module at keyword TIME. When added after the RASSCF section, it just ends with internal error. Does anyone here has any experience calculating the 2PA transitions?
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