TY - JOUR

T1 - Time-resolved Dyson equations in the context of time-dependent density-functional theory

T2 - Extension to solid systems

AU - Vernes, A.

AU - Weinberger, P.

AU - Szunyogh, L.

PY - 2008/10/29

Y1 - 2008/10/29

N2 - It is shown that under certain conditions an instantaneous resolvent G(z;t) of a time-dependent Kohn-Sham or Kohn-Sham-Dirac operator H(t) can be defined from which the particle and the magnetization density can be evaluated directly using contour integrations. The corresponding Green's function can be evaluated within a multiple-scattering scheme by solving at each given time t coupled radial differential equations for the single-site problem. This scheme is in particular intriguing since within the adiabatic time-dependent density functional the configurational part of a time-dependent perturbation can be viewed as a contribution to an effective (full) potential. First applications are shown for an Fe atom excited by a femtosecond laser pulse.

AB - It is shown that under certain conditions an instantaneous resolvent G(z;t) of a time-dependent Kohn-Sham or Kohn-Sham-Dirac operator H(t) can be defined from which the particle and the magnetization density can be evaluated directly using contour integrations. The corresponding Green's function can be evaluated within a multiple-scattering scheme by solving at each given time t coupled radial differential equations for the single-site problem. This scheme is in particular intriguing since within the adiabatic time-dependent density functional the configurational part of a time-dependent perturbation can be viewed as a contribution to an effective (full) potential. First applications are shown for an Fe atom excited by a femtosecond laser pulse.

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U2 - 10.1103/PhysRevB.78.155129

DO - 10.1103/PhysRevB.78.155129

M3 - Article

AN - SCOPUS:55849142259

VL - 78

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 0163-1829

IS - 15

M1 - 155129

ER -