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Interactions and dynamics in ultracold collisions
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10.1063/1.2752162
/content/aip/journal/jcp/127/7/10.1063/1.2752162
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/7/10.1063/1.2752162

Figures

Image of FIG. 1.
FIG. 1.

CASSCF quartet potentials of at geometries for states that correlate with the atomic and asymptotic limits. The interatomic distances are , , and .

Image of FIG. 2.
FIG. 2.

CASSCF quartet potentials of at geometries for states that correlate with the atomic and asymptotic limits. The interatomic distances are .

Image of FIG. 3.
FIG. 3.

Triplet potential energy curves of from the atomic and dissociation limits.

Image of FIG. 4.
FIG. 4.

Correlation diagram of quartet potentials of that correlate with the atomic dissociation limit. Note that the energy is shown relative to this limit and the state correlating with is not shown. The first panel connects the states with the atom-diatom limit, with one interatomic distance fixed at and symmetry preserved. The second panel connects the atom-diatom limit with states, with one interatomic distance fixed at and symmetry preserved. The third panel connects and terms, with two interatomic distances fixed at and the angle between them, , varied.

Image of FIG. 5.
FIG. 5.

Comparison of different fitted potentials with the ab initio energies for the quartet ground state of at geometries.

Image of FIG. 6.
FIG. 6.

The fitted quartet ground-state potential of lithium trimer for a bond angle of 60°. Contours are labeled in .

Image of FIG. 7.
FIG. 7.

The fitted quartet ground-state potential of lithium trimer for a bond angle of 120°. Contours are labeled in .

Image of FIG. 8.
FIG. 8.

The fitted quartet ground-state potential of lithium trimer for a bond angle of 150°. Contours are labeled in .

Image of FIG. 9.
FIG. 9.

Energy dependence of elastic cross sections for (, ). The energy-dependent scattering length is shown in the inset.

Image of FIG. 10.
FIG. 10.

Energy dependence of elastic and inelastic cross sections for (, ). The complex energy-dependent scattering length is shown in the inset.

Image of FIG. 11.
FIG. 11.

Energy dependence of the phase shift for (, ).

Image of FIG. 12.
FIG. 12.

Energy dependence of elastic and sum of inelastic probabilities, , for (, ).

Image of FIG. 13.
FIG. 13.

Eigenphase sum (upper panel) and individual eigenphases (lower panel) for (, ).

Image of FIG. 14.
FIG. 14.

Final rotational distributions for (, ) at .

Image of FIG. 15.
FIG. 15.

Elastic probabilities, , as a function of total angular momentum for (, ).

Image of FIG. 16.
FIG. 16.

Inelastic probabilities, , as a function of total angular momentum for (, ).

Image of FIG. 17.
FIG. 17.

(Color online) Elastic and total inelastic cross sections for (, ) on the uncontracted cc-pV5Z and aug-cc-pCVTZ basis set potentials and the inelastic cross sections in the Langevin model.

Image of FIG. 18.
FIG. 18.

Final rotational distributions for (, ). Top panel: statistical prediction; center panel: ultracold regime ; bottom panel: collision energy of .

Image of FIG. 19.
FIG. 19.

Center-of-mass differential cross sections for (, ) at a collision energy of . Differential cross sections are integrated through the azimuthal angle and summed over the final states in each vibrational manifold.

Image of FIG. 20.
FIG. 20.

Dependence of the elastic cross sections for (, ) on the scaling factor of the nonadditive part of the potential.

Image of FIG. 21.
FIG. 21.

Dependence of the elastic cross sections for (, ) on the scaling factor of the nonadditive part of the potential.

Image of FIG. 22.
FIG. 22.

Dependence of the total inelastic cross sections for (, ) on the scaling factor of the nonadditive part of the potential.

Image of FIG. 23.
FIG. 23.

Final rotational distributions for (, ) at a collision energy in the Wigner regime.

Image of FIG. 24.
FIG. 24.

Final rotational distributions for (, ) at a collision energy of .

Image of FIG. 25.
FIG. 25.

Center-of-mass differential cross sections for (, ) at a collision energy of . Differential cross sections are integrated through the azimuthal angle and summed over the final states in each vibrational manifold and overall.

Image of FIG. 26.
FIG. 26.

The low-lying energy rotational levels of , , and for , relative to the potential minimum. Only levels with even are shown for and only levels with odd are shown for .

Image of FIG. 27.
FIG. 27.

Energy dependence of eigenphase sum (top panel), elastic cross section (center panel), and inelastic/reactive cross section (bottom panel) for collisions of (, ) with .

Tables

Generic image for table
Table I.

Convergence tests for Li basis sets. For atoms, static polarizability and excitation energy. For triplet dimers, dissociation energy , position of the minimum , BSSE evaluated at , scattering length , and energy of the highest vibrational level for the molecule. For quartet trimers, dissociation energy and position of the minimum for . All calculations except the “best available theory” are from the present work and used RCCSD(T) calculations.

Generic image for table
Table II.

Elastic and total inelastic cross sections and rate coefficients for at a collision energy of for different initial states of the molecule.

Generic image for table
Table III.

Elastic and total inelastic cross sections and rate coefficients for at a collision energy of for different initial states of the molecule.

Generic image for table
Table IV.

Cross sections and related parameters for at a collision energy of for different initial states of the molecule.

Generic image for table
Table V.

Cross sections and related parameters for at a collision energy of for different initial states of the molecule.

Generic image for table
Table VI.

Cross sections and related parameters for at a collision energy of for different initial states of the molecule.

Generic image for table
Table VII.

Cross sections and related parameters for at a collision energy of for different initial states of the molecule.

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/content/aip/journal/jcp/127/7/10.1063/1.2752162
2007-08-20
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Interactions and dynamics in Li+Li2 ultracold collisions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/7/10.1063/1.2752162
10.1063/1.2752162
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