A Density Functional Extension to Excited State Mean-Field Theory.

  title={A Density Functional Extension to Excited State Mean-Field Theory.},
  author={Luning Zhao and Eric Neuscamman},
  journal={Journal of chemical theory and computation},
We investigate an extension of excited state mean-field theory in which the energy expression is augmented with density functional components in an effort to include the effects of weak electron correlations. The approach remains variational and entirely time-independent, allowing it to avoid some of the difficulties associated with linear response and the adiabatic approximation. In particular, all of the electrons' orbitals are relaxed state specifically and there is no reliance on Kohn-Sham… 
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  • N. Maitra
  • Physics, Medicine
    Journal of physics. Condensed matter : an Institute of Physics journal
  • 2017
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