Double excitations within time-dependent density functional theory linear response were described. The one-to-one mapping between densities and potentials produced a Kohn-Sham (KS) system of noninteracting electrons. The linear response equations were solved using an adiabatic kernel method. The results provide accurate approximations to states of double excitation character.
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry