Exploring non-adiabatic approximations to the exchange-correlation functional of tddft

HIGHLIGHTS

• who: Johanna I. Fuks et al. from the (UNIVERSITY) have published the paper: Exploring non-adiabatic approximations to the exchange-correlation functional of TDDFT, in the Journal: (JOURNAL)
• what: The authors focus on systems driven 5 with spacing 0.1 a.u. and has absorbing boundaries; the time-step used was ≤ 0.02 a.u. The authors compare the densities and potentials resulting from propagating these initial KS states under the approximations , with the exact ones. The authors explore the following choices: 1. single Slater Determinant (SSD): Φ(x1, x2, 0)=ϕ(x1 )ϕ(x2 ) p where ϕ(x . . .
  

   

  

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