| 8:45:02 AM PST - Mon, Feb 20th 2017 |
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Hi,
I'm trying to benchmark my TDDFT code against NWCHEM. I'm using usual measures like energy and dipole moment time profiles. However, I notice sensitivity of these profiles to the choice of basis. In order to better assess the accuracy of my code as well as that of NWCHEM, I'm looking for time-dependent test cases where analytical solutions exist. (i.e., where one can solve the time-dependent Schrodinger equation (TDSE) exactly). I've tried to work with hydrogen atom in a radially symmetric time-dependent potential so as to reduce the TDSE into radial and angular parts, but it end result uninteresting as the charge density stays radially symmetric thereby resulting in no dipole moment.
I would really appreciate if someone can provide a reliable (or preferably analytical) test case.
Thanks,
Bikash
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