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A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations
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10.1063/1.3115100
/content/aip/journal/jcp/130/15/10.1063/1.3115100
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/15/10.1063/1.3115100

Figures

Image of FIG. 1.
FIG. 1.

Probability density functions defined in Eq. (8) (left panels) and functions defined in Eq. (11) (right panels) for the first four bound states, , , , and , respectively, for from Table I, obtained with the potential.

Image of FIG. 2.
FIG. 2.

Same as Fig. 1 for, from bottom to top, the , bound states found for with energies , , and , respectively (see Table III).

Tables

Generic image for table
Table I.

Bound state energies, in , for the cluster at zero angular momentum, , obtained by means of the HC and DGF methods with the potential. The HC states are shown in the second column labeled with the quantum numbers, in the first column. DGF vibrational states are in the third column. The corresponding IR is shown in the fifth column.

Generic image for table
Table II.

Comparison between the rovibrational levels for corresponding to the and IRs obtained by means of the present HC and DGF approaches. Values of the -component of in the body-fixed frame, , are in the fourth column. Energies, obtained via the rotational constants calculated in Sec. IV C (see text for details) are included for comparison in the sixth column.

Generic image for table
Table III.

Same as Table II for .

Generic image for table
Table IV.

Rotational constants, measured in MHz, obtained with the present DGF approach for the different vibrational states. The average value between the and rotational constants is shown in the fourth column. Values reported, for states denoted with the , and quantum numbers in the HC calculation by Karlický et al. are also included for comparison.

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/content/aip/journal/jcp/130/15/10.1063/1.3115100
2009-04-15
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/15/10.1063/1.3115100
10.1063/1.3115100
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