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20182023
most citedVariational density functional calculations of excited states via direct optimization

101 citations · 198 across the 7 of their papers we have counts for

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physics.comp-ph2021

Method for Calculating Excited Electronic States Using Density Functionals and Direct Orbital Optimization with Real Space Grid or Plane Wave Basis Set

Aleksei V. Ivanov, Gianluca Levi, Elvar Ö. Jónsson +1

A direct orbital optimization method is presented for density functional calculations of excited electronic states using either a real space grid or a plane wave basis set. The met…