uncoupled polarizabilities

Started by ccsdt, April 28, 2009, 01:56:39 PM

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ccsdt

Is it possible to print the uncoupled polarizabilties in Turbomole
(hessians A and B being just the orbital energy differences)?
If I am not mistaken they should be available right at the beginning of
an RPA(TDHF) iteration and Turbomole would just have to print them
out then or to stop directly with no iterations made (the latter
doesn't seem to work with a modification of the control keys).

christof.haettig

No. Not that I' am aware of.

Christof