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.
A new basis set for molecular bending degrees of freedom
Rent:
Rent this article for
USD
10.1063/1.3462244
/content/aip/journal/jcp/133/3/10.1063/1.3462244
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/3/10.1063/1.3462244
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Dependence along of several functions with only one node and one maximum of density at .

Image of FIG. 2.
FIG. 2.

Dependence along of several functions and of the corresponding densities for and one maximum of density at .

Image of FIG. 3.
FIG. 3.

Evaluation along of several functions and of the corresponding densities for and two maxima of density at and .

Image of FIG. 4.
FIG. 4.

Embedded nodes for successive value of l, with .

Image of FIG. 5.
FIG. 5.

Convergence of vibronic energies with the number of basis functions for (a) the ZPE of , (b) the ZPE of , (c) the ZPE of HCCS, and (d) the second state of HCCS. corresponds to Legendre polynomials.

Image of FIG. 6.
FIG. 6.

Convergence of the spin-orbit splitting for the fundamental vibronic state of (a) and (b) HCCS. It corresponds to the energy of the first from the first (ZPE equation).

Image of FIG. 7.
FIG. 7.

Dependence of the obtained vibronic energies for the first four states of HCCS with the parameter for a given number (1360) of basis functions.

Loading

Article metrics loading...

/content/aip/journal/jcp/133/3/10.1063/1.3462244
2010-07-19
2014-04-16
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A new basis set for molecular bending degrees of freedom
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/3/10.1063/1.3462244
10.1063/1.3462244
SEARCH_EXPAND_ITEM