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.
Electronic coherence dynamics in trans-polyacetylene oligomers
Rent:
Rent this article for
USD
10.1063/1.3700445
/content/aip/journal/jcp/136/14/10.1063/1.3700445
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/14/10.1063/1.3700445
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Evolution and decay of the overlap of the nuclear wavefunctions in two electronic potential energy surfaces S ij (t) = 〈χ j (t)|χ i (t)〉 upon instantaneous excitation from state |ϕ i 〉 to state |ϕ j 〉. Both anharmonicities and population transfer to other electronic states (dotted lines) can lead to a decay of S ij (t) and thus to decoherences between |ϕ i 〉 and |ϕ j 〉. In the scheme, E is the energy and q denotes the general nuclear conformational space.

Image of FIG. 2.
FIG. 2.

Orbital energies for optimized PA chains of varying length. The valence (conduction) orbital energies are plotted in blue (red).

Image of FIG. 3.
FIG. 3.

Electronic decoherence dynamics in chains of different lengths N. The figure shows the evolution and decay of the chain polarization when the system is initially prepared in a superposition between the ground and first excited state of the form in Eq. (28).

Image of FIG. 4.
FIG. 4.

Population of the LUMO orbital during the decoherence dynamics of a N-site SSH chain with the initial conditions of Eq. (28).

Image of FIG. 5.
FIG. 5.

Schematic of the process used to create the superpositions in Eq. (29) (left panel) and Eq. (30) (right panel).

Image of FIG. 6.
FIG. 6.

Electronic decoherence dynamics in a 20 site chain for different initial superposition between excited states. The panels show the dynamics and decay of the chain polarization starting from a superposition of the form in Eq. (29) (left panels) or Eq. (30) (right panels).

Image of FIG. 7.
FIG. 7.

Combined population of the ith and (i + 1)th orbitals during the decoherence dynamics of a 20-site SSH chain starting from the initial superpositions depicted in Fig. 5.

Image of FIG. 8.
FIG. 8.

Electronic decoherence dynamics in a 100 site chain for different initial superposition states. The panels show the dynamics and decay of the chain polarization starting from a superposition of the form in Eq. (29) (left panels) or Eq. (30) (right panels).

Image of FIG. 9.
FIG. 9.

Combined population of the ith and (i + 1)th orbitals during the decoherence dynamics of a 100-site SSH chain starting from the initial superpositions described in Fig. 5.

Loading

Article metrics loading...

/content/aip/journal/jcp/136/14/10.1063/1.3700445
2012-04-09
2014-04-21
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Electronic coherence dynamics in trans-polyacetylene oligomers
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/14/10.1063/1.3700445
10.1063/1.3700445
SEARCH_EXPAND_ITEM