TY - JOUR
T1 - Excitations in Time-Dependent Density-Functional Theory
AU - Appel, H.
AU - Gross, E. K.U.
AU - Burke, K.
PY - 2003
Y1 - 2003
N2 - An approximate solution to the time-dependent density-functional theory response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition frequencies and oscillator strengths are usually good approximations to the true values, and why sometimes they are not. The approximation yields simple expressions for Görling-Levy perturbation theory results, and a method for estimating expectation values of the unknown exchange-correlation kernel.
AB - An approximate solution to the time-dependent density-functional theory response equations for finite systems is developed, yielding corrections to the single-pole approximation. These explain why allowed Kohn-Sham transition frequencies and oscillator strengths are usually good approximations to the true values, and why sometimes they are not. The approximation yields simple expressions for Görling-Levy perturbation theory results, and a method for estimating expectation values of the unknown exchange-correlation kernel.
UR - http://www.scopus.com/inward/record.url?scp=84893872024&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.90.043005
DO - 10.1103/PhysRevLett.90.043005
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AN - SCOPUS:84893872024
SN - 0031-9007
VL - 90
SP - 4
JO - Physical Review Letters
JF - Physical Review Letters
IS - 4
ER -