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Potential energy curves for the interaction of Ag() and Ag() with noble gas atoms
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10.1063/1.4790586
/content/aip/journal/jcp/138/8/10.1063/1.4790586
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/8/10.1063/1.4790586

Figures

Image of FIG. 1.
FIG. 1.

Schematic representation of the PECs of the low-lying states of Ag−NG Van der Waals complexes.

Image of FIG. 2.
FIG. 2.

Dissociation energy of the Ag−NG complexes as a function of the polarizability of the noble gases. (a) For the X2Σ+ and B Σ+ states; (b) for the A2Π state. The polarizability of the noble gases increases with their mass.

Image of FIG. 3.
FIG. 3.

Potential energy curves of the A2Π3/2 (top panel) and A2Π1/2 (bottom panel) states of the Ag(5p)-NG complexes. The inset shows the double well structure that appear for He and Ne as a consequence of the spin-orbit interaction.

Image of FIG. 4.
FIG. 4.

Potential energy curves of the state of the Ag(5p)−NG complexes.

Tables

Generic image for table
Table I.

Spectroscopic parameters of the ground state X2Σ+ of the Ag−NG molecules. Ag−He does not have enough vibrational levels to extract ω e and ω e x e .

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Table II.

Permanent dipole moment of the Ag−NG species in debye.

Generic image for table
Table III.

Spectroscopic parameters of the excited A2Π and B2Σ+ states of the Ag−NG molecules.

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Table IV.

Spectroscopic parameters of the excited , 2Π1/2, and 2Π3/2 states of the Ag−NG molecules for natural abundances. For Ag−He in the 2Π1/2 state, the values of R e and D e for the two potential wells are given (see text). The 2Π1/2 and states of Ag−He and Ag−Ne do not support enough vibrational states to extract ω e and ω e x e .

Generic image for table
Table V.

Comparison of the spectroscopic parameters calculated in this work with the experimental values for 107Ag−40Ar. All parameters are in units of cm−1. Exp. 1 and Exp. 2 corresponds to the experimental values determined in Refs. 10 and 11 , respectively.

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Table VI.

Comparison of the spectroscopic parameters calculated in this work with the experimental values from Ref. 11 for 107Ag−83Kr. All parameters are in units of cm−1.

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Table VII.

Comparison of the spectroscopic parameters calculated in this work with the experimental values from Ref. 11 for 107Ag−129Xe. All parameters are in units of cm−1.

Generic image for table
Table VIII.

Comparison of the vibrational spacing in the 2Π1/2 state of 107Ag−40Ar with the experimental values of Ref. 11 . The spacings are obtained from (vv′′) − (v′ − v′′) = vv′, where v, v′ are the vibrational levels in the 2Π1/2 PEC, and v′′ is a label for vibrational levels in the PEC.

Generic image for table
Table IX.

Vibrational dependence of the spin-orbit splitting δso(v) in the 2Π state of 107Ag−40Ar, δso(v) = E v (2Π3/2) − E v (2Π1/2). The second column contains the results of our calculations, while the results of the third column are obtained by shifting the numbering of the vibrational levels in the 2Π1/2 state by one unit of v. The last column contains the experimental results of Ref. 11 .

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/content/aip/journal/jcp/138/8/10.1063/1.4790586
2013-02-22
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Potential energy curves for the interaction of Ag(5s) and Ag(5p) with noble gas atoms
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/8/10.1063/1.4790586
10.1063/1.4790586
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