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The B1Π and D1Π states of LiRb
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10.1063/1.4793315
/content/aip/journal/jcp/138/9/10.1063/1.4793315
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/9/10.1063/1.4793315

Figures

Image of FIG. 1.
FIG. 1.

(a) Potential energy curves for selected electronic states of LiRb (ab initio calculations from Ref. 3 ). (b) A typical spectrum of the LIF from the D1Π state following the laser excitation X(4,57)-D(1,58). For suppressing the scattered laser light a color glass filter was applied.

Image of FIG. 2.
FIG. 2.

Gerö plots representing the distribution of the experimental data for all four isotopologues in LiRb for the B1Π state (a) and the D1Π state (b).

Image of FIG. 3.
FIG. 3.

Perturbations in v′ = 0 (left) and v′ = 2 (right) for the state B1Π in LiRb.

Image of FIG. 4.
FIG. 4.

Derived potentials for states B1Π, C1Σ+, and D1Π and their coupling functions b B (R) and b D (R) according Eq. (1) .

Image of FIG. 5.
FIG. 5.

Deviations of the f-parity levels for v′ = 4 of the D1Π state from their predictions by the fitted potential curve (upper) and their actual observation in the experimental spectra (lower) where doubled lines are observed. The second line with label J = 94 is very strong and thus overshoots in the drawing. The asymmetric line shape is an artifact of the Fourier transformation due to the large signal amplitude.

Image of FIG. 6.
FIG. 6.

Histogram showing the distribution of the residuals E obs E calc for the term energies of the D state. The solid line is a Gaussian fit resulting in a width of 0.011 cm−1.

Tables

Generic image for table
Table I.

The potential coefficients and derived molecular constants for state B1Π in 7LiRb. The potential energy is calculated with respect to the minimum of the ground state X1Σ+, the dispersion coefficients are adjusted for continuous connection to the respective excited atomic asymptote.

Generic image for table
Table II.

The potential coefficients and derived molecular constants for the state C1Σ+ in 7LiRb. The potential energy is calculated with respect to the minimum of the ground state X1Σ+, the dispersion coefficients are adjusted for continuous connection to the respective excited atomic asymptote.

Generic image for table
Table III.

Coupling parameters for b B (R) between states B1Π and C1Σ+ in 7LiRb and effective Λ-doubling parameters of q e/f (R) for coupling of distant states with respect to state B1Π.

Generic image for table
Table IV.

Pointwise representation of the potential energy curve for the D1Π state of 7LiRb. For interpolation a natural cubic spline through all the listed points should be used. 17 The long range expansion (Eq. (5) ) with coefficients C 6 and C 8 taken from Ref. 16 and C 10 constructed for continuous connection starts at R o = 15.127 Å.

Generic image for table
Table V.

Comparison of molecular parameters determined from spectroscopy and ab initio calculations. 3 The vibrational frequencies are for 7Li85Rb a .

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/content/aip/journal/jcp/138/9/10.1063/1.4793315
2013-03-05
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The B1Π and D1Π states of LiRb
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/9/10.1063/1.4793315
10.1063/1.4793315
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