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Reinvestigation of the electronic spectroscopy of the Au–Ar complex
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10.1063/1.2800006
/content/aip/journal/jcp/127/20/10.1063/1.2800006
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/20/10.1063/1.2800006

Figures

Image of FIG. 1.
FIG. 1.

REMPI spectrum of Au–Ar corresponding to the transition. is obtained from , where the ground state dissociation energy was obtained from ab initio calculations—see text.

Image of FIG. 2.
FIG. 2.

LeRoy-Bernstein plot for the state.

Image of FIG. 3.
FIG. 3.

REMPI spectrum of Au–Ar corresponding to the transition. is obtained from , where the ground state dissociation energy was obtained from ab initio calculations—see text.

Image of FIG. 4.
FIG. 4.

LeRoy-Bernstein plot for the state.

Image of FIG. 5.
FIG. 5.

Schematic potential energy curves demonstrating how the spin-orbit interaction produces the “shelf” state: (a) no spin-orbit interaction; (b) the spin-orbit splitting in the states has been “turned on,” but the state has simply been shifted vertically so that it reaches the asymptote at large , and no interaction between the two states is included; and (c) inclusion of spin-orbit interaction with mixing between states of like-. Note that the depth of the state has been overemphasized compared to those of the states for clarity.

Tables

Generic image for table
Table I.

Line positions for the spectrum shown in Fig. 1.

Generic image for table
Table II.

Calculated spectroscopic constants for Au–Ar at the RCCSD(T) level, using the basis sets noted.

Generic image for table
Table III.

Line positions for the spectrum shown in Fig. 3.

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/content/aip/journal/jcp/127/20/10.1063/1.2800006
2007-11-28
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Reinvestigation of the electronic spectroscopy of the Au–Ar complex
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/20/10.1063/1.2800006
10.1063/1.2800006
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