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Time-dependent Density Functional Theory

Author: Miguel A. L. Marques and E. K. U. Gross
Url: http://www.physik.fu-berlin.de/~ag-gross/articles/pdf/MG03.pdf
Format: Pdf
Category: TDDFT
Pages: 42
Clicks: 2999

This paper provides a pedagogical in troduction to TDDFT . With that in mind, they present, in section 2, a quite detailed proof of the Runge-Gross theorem, i.e. the time-dependent generalization of the Hohenberg-Kohn theorem, and the corresponding Kohn-Sham construction. These constitute the mathematical foundations of TDDFT. Several approximate exchange-correlation (xc) functionals are then reviewed. Section 3 is concerned with linear-response theory, and with its main ingredient, the xc kernel. The calculation of excitation energies is treated in the following section. After giving a brief overlook of the competing density-functional methods to calculate excitations, they present some results obtained from the full solution of the Kohn-Sham scheme, and from linear-response theory. Section 5 is devoted to the problem of atoms and molecules in strong laser fields. Both high-harmonic generation and ionization are discussed. Finally, the last section is reserved to some concluding remarks.

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