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.
|