[CP2K-user] [CP2K:19897] TD-DFT coefficients meaning
mshakiba.k...@gmail.com
mshakiba.kerman.iran at gmail.com
Tue Feb 13 15:08:06 UTC 2024
Dear CP2K developers,
I wanted to ask about the meaning of the TD-DFT coefficients as printed in
CP2K. Are those the coefficients of individual determinants or the
coefficients somehow related to the spin-adapted functions (configuration
state functions)?
Thank you in advance.
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