From NWChem
Viewed 99 times, With a total of 2 Posts
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Just Got Here
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| 12:20:54 AM PDT - Wed, May 9th 2012 |
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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.
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Niri Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Gets Around
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Posts 82
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| 5:11:32 PM PDT - Wed, May 9th 2012 |
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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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Just Got Here
Threads 1
Posts 2
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| 6:43:16 PM PDT - Wed, May 9th 2012 |
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Quote:Niri May 9th 5:11 pmHi,
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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