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Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory
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10.1063/1.3265767
/content/aip/journal/jcp/131/21/10.1063/1.3265767
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/21/10.1063/1.3265767

Figures

Image of FIG. 1.
FIG. 1.

Absorption cross section of linear (upper panel) and linear (lower panel) calculated using LDA, PBE, and DIM geometries. The experimental results for from Ref. 1 are also plotted.

Image of FIG. 2.
FIG. 2.

Absorption cross section of linear for different values of the spin-orbit coupling strength (see text for more details). The position of the two peaks of the experimental spectrum from Ref. 1 is indicated by gray vertical lines.

Image of FIG. 3.
FIG. 3.

Absorption cross section of linear calculated using the DIM geometry and different exchange-correlation functionals. The experimental results are from Ref. 1.

Image of FIG. 4.
FIG. 4.

Calculated photoabsorption cross section of linear , T-shaped , and linear within the TDLDA approximation using the geometries from Ref. 3.

Image of FIG. 5.
FIG. 5.

Calculated photoabsorption cross section (arbitrary units) for , , as a function of cluster size and energy. The positions of the peaks measured by Haberland et al. (Ref. 1) are indicated with crosses. The lines through the experimental data points are only to guide the eye.

Tables

Generic image for table
Table I.

Calculated bond lengths angstrom of linear and linear . For the cluster denotes the central bond. The DIM results are from Ref. 3.

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/content/aip/journal/jcp/131/21/10.1063/1.3265767
2009-12-01
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Photoabsorption spectra of small cationic xenon clusters from time-dependent density functional theory
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/21/10.1063/1.3265767
10.1063/1.3265767
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