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Alfa Chemistry - Excitation Energy and Transition Dipole Moment (TDM) Calculation

Excitation Energy and Transition Dipole Moment (TDM) Calculation: For atoms, the arrangement of valence electrons on the periodic table of elements is the ground state, and electrons are excited from the lower energy orbit to the higher energy orbit, which is the excited state. The energy absorbed in this process is called excitation energy. There are two forms of excitation for molecules in the ground state which are adiabatic excitation energy and vertical excitation energy. The transition dipole moment or transition moment, usually denoted for a transition between an initial stat and a final state, is the electric dipole moment associated with the transition between the two states. In general, the transition dipole moment is a complex vector quantity that includes the phase factors associated with the two states.