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 -