Author Topic: uncoupled polarizabilities  (Read 5484 times)

ccsdt

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uncoupled polarizabilities
« on: April 28, 2009, 01:56:39 PM »
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).
« Last Edit: April 28, 2009, 01:59:45 PM by ccsdt »

christof.haettig

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Re: uncoupled polarizabilities
« Reply #1 on: September 14, 2009, 09:24:46 AM »
No. Not that I' am aware of.

Christof