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Re: Is it possible to get HOMO-LUMO gap for a set of Temperature changes??

Solntsev Pasha

Dear Siddheshwar.

Schredinger equation doesn't depend on temperature.HOMO-LUMO gap will be the same for ALL temperatures.


On Fri Feb 22 '13 2:52pm, Siddheshwar Chopra wrote
>Dear Sir,
>Can we obtain HOMO-LUMO gap data for a set of temperatures in FIREFLY? If I am not wrong I can also say "SIngle Point Energy" calculations for a set of Temperatures?


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