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.
An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions
Rent:
Rent this article for
USD
10.1063/1.3555274
/content/aip/journal/jcp/134/10/10.1063/1.3555274
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/10/10.1063/1.3555274
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The autocorrelation functions for the one-dimensional harmonic oscillator for β = 8. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Real part of standard x 2 autocorrelation function. solid line: Exact quantum result; solid triangles: W-ELD; solid circles: H-ELD; hollow squares: LSC–IVR. Panel (c) Kubo-transformed momentum autocorrelation function. (d) Kubo-transformed x 2 autocorrelation function. Solid line: Exact quantum result; dashed line: RPMD; dotted line: CMD with classical operator; dot-dashed line: CMD with effective classical operator.

Image of FIG. 2.
FIG. 2.

The autocorrelation functions for the one-dimensional anharmonic oscillator for β = 0.1. Solid line: Exact quantum result. In the following results, the Boltzmann operator is treated by the TGA. Dotted line: W-ELD with full TGA. Solid circles: W-ELD with LGA–TGA. Dashed line: LSC–IVR with full TGA. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Symmetrized force autocorrelation function. (c) Real part of standard x 2 autocorrelation function.

Image of FIG. 3.
FIG. 3.

As in Fig. 2, but for a much lower temperature β = 8.

Image of FIG. 4.
FIG. 4.

The autocorrelation functions for the one-dimensional anharmonic oscillator for β = 8. Solid line: Exact quantum result. Solid triangles: H-ELD with full TGA. Dashed line: LSC–IVR with full TGA. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Symmetrized force autocorrelation function. (c) Real part of standard x 2 autocorrelation function.

Image of FIG. 5.
FIG. 5.

The autocorrelation functions for the one-dimensional quartic oscillator for β = 0.1. Solid line: Exact quantum result. In the following results, the Boltzmann operator is treated by the TGA. Dotted line: W-ELD with full TGA. Solid circles: W-ELD with LGA–TGA. Dashed line: LSC–IVR with full TGA. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Symmetrized force autocorrelation function. (c) Real part of standard x 2 autocorrelation function.

Image of FIG. 6.
FIG. 6.

As in Fig. 5, but for a much lower temperature β = 8.

Image of FIG. 7.
FIG. 7.

The autocorrelation functions for the one-dimensional quartic oscillator for β = 8. Solid line: Exact quantum result. Solid triangles: H-ELD with full TGA. Dashed line: LSC–IVR with full TGA. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Symmetrized force autocorrelation function. (c) Real part of standard x 2 autocorrelation function.

Image of FIG. 8.
FIG. 8.

The autocorrelation functions for the one-dimensional anharmonic oscillator for β = 8. Solid line: Exact quantum result. Solid triangles: W-ELD with FKA. Dashed line: LSC–IVR with full TGA. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Real part of standard x 2 autocorrelation function.

Image of FIG. 9.
FIG. 9.

The autocorrelation functions for the one-dimensional quartic oscillator for β = 8. Solid line: Exact quantum result. Solid triangles: W-ELD with FKA. Dashed line: LSC–IVR with full TGA. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Real part of standard x 2 autocorrelation function.

Image of FIG. 10.
FIG. 10.

The autocorrelation functions for the one-dimensional anharmonic oscillator for β = 8. Solid line: Exact quantum result. Solid triangles: H-ELD with TFG. Dashed line: LSC–IVR with full TGA. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Real part of standard x 2 autocorrelation function.

Image of FIG. 11.
FIG. 11.

The autocorrelation functions for the one-dimensional quartic oscillator for β = 8. Solid line: Exact quantum result. Solid triangles: H-ELD with TFG. Dashed line: LSC–IVR with full TGA. Panel (a) Kubo-transformed momentum autocorrelation function. (b) Real part of standard x 2 autocorrelation function.

Loading

Article metrics loading...

/content/aip/journal/jcp/134/10/10.1063/1.3555274
2011-03-08
2014-04-16
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/134/10/10.1063/1.3555274
10.1063/1.3555274
SEARCH_EXPAND_ITEM