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April 30, 2012Physical Review A85 citationsOpen Access

Time-independent density-functional theory for excited states of Coulomb systems

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PAPaul W. AyersMLMel LevyÁNÁ. Nagy

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Abstract

A Coulomb density is special because it determines not only its Hamiltonian but the degree of excitation as well. We derive Euler equations for excited-state energies and densities that depend only on the electron density. Unlike existing formulations, additional functions and indices are not required; with these functionals, the equations of excited-state density functional theory strongly resemble those of ground-state theory. A critical analysis of the new functionals is included.

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Ayers et al. (2012) studied this question.

synapsesocial.com/papers/69d89aa5de3177251abedb31https://doi.org/10.1103/physreva.85.042518
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