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Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation
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10.1063/1.3120771
/content/aip/journal/jcp/130/18/10.1063/1.3120771
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/18/10.1063/1.3120771

Figures

Image of FIG. 1.
FIG. 1.

Feynman diagrams representing various third order signals in the quasi particle representation (Ref. 2) (a) [Eq. (14)], (b) [Eq. (A2)], and (c) [Eq. (B2)].

Image of FIG. 2.
FIG. 2.

Computed bare (○) and filtered (◻) signals for and (a) and (b) as a function of . The filter function [Eq. (25)] is also reported (×).

Image of FIG. 3.
FIG. 3.

The diagonal and antidiagonal linewidths for the absolute value of a signal. The blue contour line marks the half-maximum contour.

Image of FIG. 4.
FIG. 4.

signal for various delay times. Upper row: imaginary part; lower row: absolute value. Each spectrum is normalized respectively to its maximum.

Image of FIG. 5.
FIG. 5.

, , and imaginary part signals with polarization for (upper row) and (lower row). Each panel is normalized to its maximum. The relative maximum with respect to signal at time is indicated in parenthesis. The signal is displayed for negative frequencies.

Image of FIG. 6.
FIG. 6.

and signals with polarization and for for coupled molecules (a) and uncoupled molecules (b). Each panel is normalized to its maximum. The relative maximum with respect to signal at time is indicated in parenthesis.

Image of FIG. 7.
FIG. 7.

polarization anisotropy signal for time , 25, 50, and 100 fs. Each panel is normalized to the maximum of the signal.

Image of FIG. 8.
FIG. 8.

Upper row: signal for and and the corresponding mean field approximate signals. Lower row: same for the signal.

Image of FIG. 9.
FIG. 9.

and signal for with the corresponding uncoupled signals. Upper row: imaginary part; lower row: absolute value. Each spectrum is normalized to its maximum.

Image of FIG. 10.
FIG. 10.

Two-exciton DOS. Open square: uncoupled DOS. Open circle: harmonic DOS.

Image of FIG. 11.
FIG. 11.

signal for with polarization: Full simulation (left column) and mean field approximation (right column). Upper row: imaginary part; lower row: absolute value. Each panel is normalized to its maximum.

Tables

Generic image for table
Table I.

Diagonal width and antidiagonal width of the signal with polarization (Fig. 4).

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/content/aip/journal/jcp/130/18/10.1063/1.3120771
2009-05-08
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/18/10.1063/1.3120771
10.1063/1.3120771
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