Question about charge difference density and transition density!


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11:13:08 PM PDT - Thu, May 8th 2014
Dear all,

I want to calculate the charge difference between excited state S1 and ground state S0,

\rho_{S1}(r) - \rho_{S0}(r)

and transition density between S1 and S0:

\rho_{S1, S0}(r) = \phi^*_{S1}(r) * \phi_{S0}(r)

But I did not find the keyword to do this in NWchem.

Could anybody tell me how to calculate these densities?

Thanks very much in advance.