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Intramolecular energy transfer dynamics in 24-mode pyrazine by partitioning technique: A time-dependent approach
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10.1063/1.3495953
/content/aip/journal/jcp/133/15/10.1063/1.3495953
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/15/10.1063/1.3495953
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Exact vs coarse-grained correlation functions using 200 and 1000 bins. (Upper panels) The real part of the autocorrelation function corresponding to state in during the first 200 fs (left panel) and the same over a magnified 75–200 fs time interval (right panel). (Lower panels) The imaginary part of the autocorrelation function corresponding to state in during the first 200 fs (left panel) and the same over a magnified 75–200 fs time interval (right panel).

Image of FIG. 2.
FIG. 2.

Exact vs fitted autocorrelation functions with 100 and 120 exponential terms: (Left panel) The real part of . (Right panel) The imaginary part of .

Image of FIG. 3.
FIG. 3.

Decay dynamics for various initial vibrational states of the electronic state. (Left panel) The and the dynamics of the initial superposition state used in Ref. 12 obtained with our methodology, where the space includes vibrational states up to 1.4 and 1.6 eV. (Right panel) The dynamics for the initial (0.53 eV), (0.76 eV), (0.86 eV), (0.92 eV), and (0.97 eV) states in the space.

Image of FIG. 4.
FIG. 4.

The decay. (Left panel) The decay rate of the ground vibrational state in for various values of . (Error bars at the 95% confidence level). (Right panel) Exponential decay with for states (0.53 eV), (0.76 eV), (0.86 eV), (0.92 eV), and (0.97 eV) in .

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/content/aip/journal/jcp/133/15/10.1063/1.3495953
2010-10-19
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Intramolecular energy transfer dynamics in 24-mode pyrazine by partitioning technique: A time-dependent approach
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/15/10.1063/1.3495953
10.1063/1.3495953
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