1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Excited Li and Na in He n : Influence of the dimer potential energy curves
Rent:
Rent this article for
USD
10.1063/1.3693766
/content/aip/journal/jcp/136/11/10.1063/1.3693766
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/11/10.1063/1.3693766

Figures

Image of FIG. 1.
FIG. 1.

2Π1/2 and 2Π3/2 interaction curves for LiHe (red) and NaHe (black). The curves obtained from Pascale's potentials36 (dashed lines) are compared with our ab initio curves (full line). A closer look of the region of the potential minima for NaHe is presented in the inset.

Image of FIG. 2.
FIG. 2.

Cuts of the first excited potential energy surface for Li*He2 (left) and Na*He2 (right) using Pascale's36 (top) or the present interaction curves in the DIM matrix. The fixed alkali helium distance is such that the global minimum of potential indicated by the arrow is seen. θ corresponds to the angle while the abscissae is the distance between the alkali atom and the second helium atom. The contour lines are 50 cm−1 apart for the Li*He2 (left) system and 15 cm−1 for Na*He2 (right).

Image of FIG. 3.
FIG. 3.

Minimum of the potential energy surface within the regular ring constraint as a function of number of helium atoms, n, when our ab initio (filled circles) and Pascale's (open circles) diatomic curves are used in the DIM matrix. Values are rescaled with respect to the n = 2 value.

Image of FIG. 4.
FIG. 4.

Ak-He radial density distributions for LiHe2 (top) and NaHe2 (bottom) as a function of the Ak-He distance in a 0. The DIM surface used is based on our ab initio (full lines) or on Pascale's (dashed lines) diatomic interactions.

Image of FIG. 5.
FIG. 5.

Radial (top) and angular (bottom) distributions for LiHe5 (left) and NaHe5 (right). The DIM surface used is based on our ab initio (full lines) or on Pascale's (dashed lines) diatomic interactions.

Tables

Generic image for table
Table I.

Optimized parameters [in a.u.] of the trial wave function for Ak*He n clusters as defined in Eq. (1) and Eqs. II.

Generic image for table
Table II.

Comparison of well depths D e [in cm−1] and equilibrium distances R e [in a 0] of the X 2Σ and A 2Π states of LiHe and NaHe.

Generic image for table
Table III.

Vibrational ground state energies and chemical potential [in cm−1] of LiHe n using our ab initio curves (a) and Pascale's (Ref. 36) curves (b) in the DIM matrix.

Generic image for table
Table IV.

Same as in Table III for the NaHe n clusters.

Loading

Article metrics loading...

/content/aip/journal/jcp/136/11/10.1063/1.3693766
2012-03-19
2014-04-24
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Excited Li and Na in Hen: Influence of the dimer potential energy curves
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/11/10.1063/1.3693766
10.1063/1.3693766
SEARCH_EXPAND_ITEM