different trial vectors TDDFPT

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Matthias Kick

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May 20, 2022, 10:14:16 AM5/20/22

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Dear *,

is it possible to specify different trial vectors for a TDDFPT calculation? So, instead of starting from the lowest possible excitations one would start from higher ones?

If I understand it correctly the intial trial vectors right now are constructed from the lowest possible excitations of the Kohn-Sham states.

best,

Matthias

Anna Hehn

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May 22, 2022, 12:34:21 AM5/22/22

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Dear Matthias,

so far this is not possible.

Best,

Anna

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