4.8 Article

Solving the Kadanoff-Baym equations for inhomogeneous systems: Application to atoms and molecules

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PHYSICAL REVIEW LETTERS
卷 98, 期 15, 页码 -

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.98.153004

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We implement time propagation of the nonequilibrium Green function for atoms and molecules by solving the Kadanoff-Baym equations within a conserving self-energy approximation. We here demonstrate the usefulness of time propagation for calculating spectral functions and for describing the correlated electron dynamics in a nonperturbative electric field. We also demonstrate the use of time propagation as a method for calculating charge-neutral excitation energies, equivalent to highly advanced solutions of the Bethe-Salpeter equation.

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