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.
Calculating fifth-order Raman signals for various molecular liquids by equilibrium and nonequilibrium hybrid molecular dynamics simulation algorithms
Rent:
Rent this article for
USD
10.1063/1.2217947
/content/aip/journal/jcp/125/7/10.1063/1.2217947
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/7/10.1063/1.2217947

Figures

Image of FIG. 1.
FIG. 1.

The sampling procedure in the hybrid method. The solid line denotes the equilibrium trajectories and the doted lines denote the trajectories perturbed by laser pulses.

Image of FIG. 2.
FIG. 2.

(a) The tensor element of the fifth-order response function of Xe. The intensity of the signal is normalized by the peak intensity of the signal. (b) The slice of the tensor element along the axis.

Image of FIG. 3.
FIG. 3.

The tensor element of the fifth-order response function of . The intensity of the signal is normalized by the peak intensity of the signal. (b) The slice of the tensor element along the axis.

Image of FIG. 4.
FIG. 4.

(a) The tensor element of the fifth-order response function of water. The intensity of the signal is normalized by the peak intensity of the signal. (b) The slice of the tensor element along the axis.

Image of FIG. 5.
FIG. 5.

(a) The tensor element of the fifth-order response function of formamide. The intensity of the signal is normalized by the peak intensity of the signal. (b) The slice of the tensor element along the axis.

Image of FIG. 6.
FIG. 6.

(a) The tensor element of the fifth-order response function of acetonitrile. The intensity of the signal is normalized by the peak intensity of the signal. (b) The slice of the tensor element along the axis.

Image of FIG. 7.
FIG. 7.

The tensor element of the fifth-order response function of along axis for different pulse strengths (a) , (b) , and (c) . (a) and (b) are calculated by the inverted force method. (c) is calculated without the inverted force method. In each figure, the signal intensity is normalized by the peak intensity of the signal. The cases (a) and (c) are averaged over for 2 000 000 initial configurations while the case (b) is averaged over for 4 500 000 initial configurations.

Tables

Generic image for table
Table I.

Relative intensities of the signals. The signal intensities are normalized by the peak signal intensity of . is the volume of the system.

Loading

Article metrics loading...

/content/aip/journal/jcp/125/7/10.1063/1.2217947
2006-08-21
2014-04-24
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Calculating fifth-order Raman signals for various molecular liquids by equilibrium and nonequilibrium hybrid molecular dynamics simulation algorithms
http://aip.metastore.ingenta.com/content/aip/journal/jcp/125/7/10.1063/1.2217947
10.1063/1.2217947
SEARCH_EXPAND_ITEM