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Solution of the Linear-Response Equations in a Basis Set

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Time-Dependent Density Functional Theory

Part of the book series: Lecture Notes in Physics ((LNP,volume 706))

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Abstract

The induced density can be obtained within a linear response calculation by solving a coupled set of equations, in which the first order change in the density δn(r, ω) follows from the first order change in the self-consistent potential δυKS(r, ω) and vice versa. Here the induced density can be given as

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© 2006 Springer

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de Boeij, P. (2006). Solution of the Linear-Response Equations in a Basis Set. In: Marques, M.A., Ullrich, C.A., Nogueira, F., Rubio, A., Burke, K., Gross, E.K. (eds) Time-Dependent Density Functional Theory. Lecture Notes in Physics, vol 706. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-35426-3_13

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