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Re: Help needed with the Transition density matrix determination and analysis....

Pavlo Solntsev
pavlo.solntsev@gmail.com


Dear Siddheshwar.

Could you please explain me what Transition density matrix stands for?

-Pavlo

On Wed Sep 17 '14 9:45am, Siddheshwar Chopra wrote
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>Dear Users,
>I wish to know about the determination of Transition density matrix. How do we extract it from the o/p data? Do we need to mention any special command to get the same? If no, then how to search for it in the o/p file? What all we can infer using it? Someone please throw some light on it.

>Kind Regards,


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