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how to perform MO population analysis on rttddft calculations
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Topic: how to perform MO population analysis on rttddft calculations (Read 5775 times)
paras18
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how to perform MO population analysis on rttddft calculations
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on:
March 27, 2023, 12:38:32 PM »
I have performed rttddft calculations on a molecular system and I want to see any population transfer between two states of the system, is there any way I can see the propagation of the population in the system ? couldn't figure out a way yet
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turbomaster
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Re: how to perform MO population analysis on rttddft calculations
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Reply #1 on:
July 09, 2023, 12:06:42 PM »
Dear paras18,
there are no two states in the rttddft calculations, since you always propagate the ground state density.
Best Wishes
Marek
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how to perform MO population analysis on rttddft calculations