| 9:34:13 AM PDT - Tue, Jun 30th 2015 |
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Since analytic gradients for TDDFT were not implemented in version 6.3, it would not be possible to use the LR-TDDFT code to get the excited state density. Your options would be to update to version 6.5 or you could use the RT-TDDFT code as described above to try to resonantly excite your system to the excited state and use the visualization feature to generate the charge density plot. I would recommend upgrading to version 6.5 in order to generate the excited state charge density with the LR-TDDFT code. If you decide to pursue the RT-TDDFT option, I would recommend taking a look at some of the literature on resonant excitations in RT-TDDFT (J. Chem. Phys. 141, 184112 (2014); http://dx.doi.org/10.1063/1.4900514 this article and the references within would be a good place to start).
Best,
Sean
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