Article ID Journal Published Year Pages File Type
5380350 Chemical Physics Letters 2015 30 Pages PDF
Abstract

- We previously proposed the linearity condition for orbital energies (LCOE).
- The LCOE can determine the suitable Hartree-Fock exchange portions in DFT.
- We extend the LCOE to excited state calculations.
- The numerical results show accurate descriptions of core/valence/Rydberg excitation energies.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
, , , ,