real-time TDDFT

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Dear Sir,
   From "Lopata KA, and N Govind. 2011. "Modeling fast electron dynamics with real-time time-dependent density functional theory: application to small molecules and chromophores." Journal of Chemical Theory and Computation 7(5):1344-1355. doi:10.1021/ct2001", we know that NWCHEM could do real-time TDDFT calculations. However, current version 6.1 could not realize it, to the best of my knowlege. So, is there any plan to implement real-time TDDFT in a future public available version?
Thanks.

  • Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi,

This is still in development and will be made available in a future release. Stay tuned!

Best regards,
-Niri

niri.govind@pnnl.gov

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Quote:Niri May 9th 5:11 pm
Hi,

This is still in development and will be made available in a future release. Stay tuned!

Best regards,
-Niri

niri.govind@pnnl.gov


Dear Dr Niri, thanks very much for your immediate response.


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