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.
Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory
Rent:
Rent this article for
USD
10.1063/1.2047447
/content/aip/journal/jcp/123/12/10.1063/1.2047447
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/12/10.1063/1.2047447

Figures

Image of FIG. 1.
FIG. 1.

Computed BLA (in Å) as a function of the total number of carbon atoms .

Image of FIG. 2.
FIG. 2.

Computed single C–C bond length (in Å) of the central unit as a function of the total number of carbon atoms .

Image of FIG. 3.
FIG. 3.

Computed double bond length (in Å) of the central unit as a function of the total number of carbon atoms .

Tables

Generic image for table
Table I.

Computed BLA (in Å) as a function of the total number of C atoms of PA .

Loading

Article metrics loading...

/content/aip/journal/jcp/123/12/10.1063/1.2047447
2005-09-26
2014-04-20
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory
http://aip.metastore.ingenta.com/content/aip/journal/jcp/123/12/10.1063/1.2047447
10.1063/1.2047447
SEARCH_EXPAND_ITEM