9:35:17 AM PST - Fri, Dec 7th 2018 |
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Hello,
I am running an RT-TDDFT simulation. When I run the x,y,z polarization kicks, I am getting an absorption at the same energy for the y and z polarization. Is it possible to orient the molecule so that I only need to excite with x polarization?
The TDDFT calculation gives me a dipole vector: <0.0, 0.0929, 0.1425>
Any suggestions would be helpful.
Thanks,
Stacey
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