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TD-DFT theory

TD-DFT is rooted in the Runge-Gross theorem [60] (which is not valid for the degenerate ground state), allowing the extension of the Hohemberg-Kohn-Sham formulation of the TD-DFT theory to the treatment of time-dependent phenomena ... [Pg.44]

See other pages where TD-DFT theory is mentioned: [Pg.838]    [Pg.19]    [Pg.750]    [Pg.9]   


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TD-DFT

TDS

Time-dependent density functional theory TD-DFT)

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