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Accurate analytic potentials for and from 2 to 90 Å, and the radiative lifetime of
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10.1063/1.3264688
/content/aip/journal/jcp/131/20/10.1063/1.3264688
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/20/10.1063/1.3264688

Figures

Image of FIG. 1.
FIG. 1.

Fluorescence series originating from , of the state (mixed with of the state) of .

Image of FIG. 2.
FIG. 2.

Plot of the expansion variables [see Eq. (10)] (solid curves) and (dashed curves) for various integer values of , showing the data region for ground-state .

Image of FIG. 3.
FIG. 3.

Comparison of four representations of the long-range potential for the state of ; energies are in and distance in angstrom. As all curves converge to the case (c) limiting value .

Image of FIG. 4.
FIG. 4.

Solid curves: long-range behavior of our recommended -state potentials for (black, uppermost solid curve), for (red, lowest solid curve), and for (blue, intermediate solid curve). Dashed black curve: Long-range behavior of the -state potential for if spin-orbit induced interstate mixing is ignored. Dash-dot-dot blue curve: long-range behavior of the -state potential for if the symmetry breakdown is ignored.

Image of FIG. 5.
FIG. 5.

BOB radial strength functions determined with as the reference isotopologue: has units , while is dimensionless.

Image of FIG. 6.
FIG. 6.

Open points: isotopologue dependence of empirical coefficients determined with three versions of the model Hamiltonian; the broken lines join the points for a given model to the “mass-infinity” theoretical value of Yan et al. (Ref. 49). Solid triangular points joined by a solid line are the very recent theoretical values of Tang et al. (Ref. 74).

Tables

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Table I.

Observed coincidences between and levels in , with transition wavenumbers in .

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Table II.

Summary of experimental data used in the present study.

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Table III.

Parameters defining the recommended MLR potentials and BOB functions for the and states of with as the reference isotopologue. The analysis used the excitation energy of and spin-orbit splitting energy of (Ref. 6). Units of length and energy are angstrom and ; the exponent expansion coefficients and the centrifugal BOB parameters of Eq. (25) are dimensionless, while the parameters defining the “adiabatic” BOB strength function of Eq. (24) have units of .

Generic image for table
Table IV.

Some properties of the major isotopologues, with energies in and lengths in angstrom, with shifted properties of the minor isotopologues calculated from Eqs. (28)–(35).

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Table V.

Effect on the fit of fixing vs floating the and coefficients for the state of .

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Table VI.

Effect on the fit of fixing vs freeing the and coefficients for the state of .

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Table VII.

Comparison of well depths (in ) and coefficients (in ) determined herein with previously reported values.

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/content/aip/journal/jcp/131/20/10.1063/1.3264688
2009-11-25
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Accurate analytic potentials for Li2(X Σ1g+) and Li2(A Σ1u+) from 2 to 90 Å, and the radiative lifetime of Li(2p)
http://aip.metastore.ingenta.com/content/aip/journal/jcp/131/20/10.1063/1.3264688
10.1063/1.3264688
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