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Journal articles
Time-dependent density functional study of UV-visible absorption spectra of small noble metal clusters (Cu-n, Ag-n, Au-n, n=2-9, 20)
Abstract : Absorption UV-visible spectra of noble metal clusters Cu n , Ag n , Au n , n = 2−9 and 20, are investigated in the framework of the time-dependent density functional theory (TDDFT) using the long-range corrected density functionals LC-M06L and CAM-B3LYP and high-quality gaussian basis sets. Some calculations including the spin-orbit coupling are also presented. The contribution of the d electrons to the optical response is found to be lower than it is when a purely local exchange functional is used. Calculated spectra are compared to experimental ones measured on clusters embedded in rare gas matrix.
Cited literature [65 references]
https://hal-univ-lyon1.archives-ouvertes.fr/hal-02313480
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Submitted on : Saturday, January 18, 2020 - 10:31:01 AM
Last modification on : Monday, October 19, 2020 - 2:07:42 PM
Long-term archiving on: : Sunday, April 19, 2020 - 12:29:11 PM
Contributor : Depot 4 Lyon 1 <>
Submitted on : Saturday, January 18, 2020 - 10:31:01 AM
Last modification on : Monday, October 19, 2020 - 2:07:42 PM
Long-term archiving on: : Sunday, April 19, 2020 - 12:29:11 PM
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