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An efficient method to study highly excited states at the ab initio level and application to ultralong Rydberg CsNe molecules
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10.1063/1.4817079
/content/aip/journal/jcp/139/5/10.1063/1.4817079
http://aip.metastore.ingenta.com/content/aip/journal/jcp/139/5/10.1063/1.4817079

Figures

Image of FIG. 1.
FIG. 1.

Rydberg molecule structure and coordinate system. The and are the core and the valence electron of the Rydberg Cs() atom, respectively, and is the ground state Ne atom. See the text for details.

Image of FIG. 2.
FIG. 2.

The radial probability density of Cs(20) atom. The effective core potential () of the Cs atom is shown in the inset.

Image of FIG. 3.
FIG. 3.

Molecular potential energy curves (black thick) for Cs(20)+Ne (upper) and Cs(20)+Ne (bottom). Color curves are typical wavefunctions.

Image of FIG. 4.
FIG. 4.

Molecular potential energy curves for Cs(30)+Ne (upper) and Cs(30)+Ne (bottom).

Tables

Generic image for table
Table I.

The calculated dissociation energy and equilibrium internuclear distance for the outmost potential well of a Rydberg CsNe molecules associated with a Rydberg Cs(/) atom and a Ne atom.

Generic image for table
Table II.

Vibrational properties of Cs(20)+Ne Rydberg molecules. , ⟨⟩, and ⟨Δ⟩ are the vibrational energy, mean value, and variance of the internuclear distance , respectively. The last row indicates in which potential well (PW No.) the vibrational state is located, starting from the outermost one.

Generic image for table
Table III.

Vibrational properties of Cs(20)+Ne Rydberg molecules. , ⟨⟩, and ⟨Δ⟩ are the vibrational energy, mean value, and variance of the internuclear distance , respectively. The last row indicates in which potential well (PW No.) the vibrational state is located, starting from the outermost one.

Generic image for table
Table IV.

Vibrational properties of Cs(30)+Ne and Cs(30)+Ne Rydberg molecules. , ⟨⟩, and ⟨Δ⟩ are the vibrational energy, mean value, and variance of the internuclear distance , respectively. The last row indicates in which potential well (PW No.) the vibrational state is located, starting from the outermost one.

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/content/aip/journal/jcp/139/5/10.1063/1.4817079
2013-08-05
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: An efficient method to study highly excited states at the ab initio level and application to ultralong Rydberg CsNe molecules
http://aip.metastore.ingenta.com/content/aip/journal/jcp/139/5/10.1063/1.4817079
10.1063/1.4817079
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