The role of exchange and correlation in time-dependent density-functional theory for photoionization

Stener M, Decleva P, Görling A (2001)


Publication Type: Journal article, Original article

Publication year: 2001

Journal

Original Authors: Stener M., Decleva P., Görling A.

Publisher: American Institute of Physics (AIP)

Book Volume: 114

Pages Range: 7816-7829

Journal Issue: 18

DOI: 10.1063/1.1364675

Abstract

The time-dependent density-functional (TDDF) method employing the exact exchange-only Kohn-Sham (KS) potential and adiabatic local density approximation (ALDA) exchange-correletion kernel was discussed to describe photoionization. The width and shapes of autoionization resonance were calculated to approximate exchange-correlation density-functionals. The results for the exact full and the exact exchange-only Kohn-Sham (KS) potential were found to be good agreement with the experimental data.

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How to cite

APA:

Stener, M., Decleva, P., & Görling, A. (2001). The role of exchange and correlation in time-dependent density-functional theory for photoionization. Journal of Chemical Physics, 114(18), 7816-7829. https://doi.org/10.1063/1.1364675

MLA:

Stener, M., P. Decleva, and Andreas Görling. "The role of exchange and correlation in time-dependent density-functional theory for photoionization." Journal of Chemical Physics 114.18 (2001): 7816-7829.

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