Density matrix and properties of specific excited state in TDDFT.


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6:27:15 AM PDT - Fri, Jun 5th 2015
Dear all,

I need to have relaxed density matrix in specific excited state, also properties and charge density

but I can not find the proper switches to generate this data after a TDDFT run.
Furthermore I need these properties in vertical excitation and not the optimized geometry of excited states.

Any answer appreciated in advance.

Bests.
Computational and Theoretical Physics Group, AEOI, Tehran, Iran