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Time Dependent Density Functional Theory

Jacob Wardzala

Time dependent density functional theory (TDDFT) is the time dependent analog to time independent density functional theory (DFT). TDDFT is used to examine the role of time evolving systems, for example those including applied electric or magnetic fields or those where nuclear motion occur. Such systems are of particular use for exploring excited state species and in simulating spectroscopy.

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Transition Dipole Moment

Claire Jones

When a photon of sufficient energy is incident on an atom or molecule, an electron can be promoted from an initial ground state to a final excited state. For this electronic transition to occur, there must be an electric interaction between the initial and final states of the system that can interact with the electric field of the incident photon. The transition dipole moment is a quantitative measure of the strength of the electric interaction between the initial and final states of an electronic transition.

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