From NWChem
Viewed 128 times, With a total of 2 Posts
|
|
|
Just Got Here
Threads 1
Posts 2
|
|
| 12:20:54 AM PDT - Wed, May 9th 2012 |
|
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
|
|
|
Gets Around
Threads 4
Posts 84
|
|
| 5:11:32 PM PDT - Wed, May 9th 2012 |
|
Hi,
This is still in development and will be made available in a future release. Stay tuned!
Best regards,
-Niri
niri.govind@pnnl.gov
|
|
|
|
|
|
Just Got Here
Threads 1
Posts 2
|
|
| 6:43:16 PM PDT - Wed, May 9th 2012 |
|
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.
|
|
|
AWC's:
2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC
