Projection functional theory is an extension of density functional theory recently developed by Graeme W. Milton and coworkers. A functional is obtained by integrating the square of the Schrodinger equation. This functional, which is quadratic in the potential, is then minimized. A functional of 3 functions is produced by splitting up the minimization into partial minimizations. Each of the 3 functions project out information contained in the full wavefunction. The multielectron Schrodinger equation with time harmonic fields is reformulated, which results in a functional of the energy and three additional functions. It is shown how to expand these terms in a variational principle for excited states and how to derive projection functional theory by using this variational principle.  Challenges in finding and approximating this functional are addressed.

An introduction to projection functional theory: A method for finding excited states

255th National Meeting (2018)

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