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Nuclear dynamics of decaying states: A semiclassical approach
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10.1063/1.4818491
/content/aip/journal/jcp/139/7/10.1063/1.4818491
http://aip.metastore.ingenta.com/content/aip/journal/jcp/139/7/10.1063/1.4818491
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Potential energy curves of the model examples. The initial , decaying , and final potential energy curves are a harmonic (blue line), a Morse (black line), and Coulombic repulsion (red line) potentials, respectively. The horizontal dashed line shows the asymptotic value of the final state curve.

Image of FIG. 2.
FIG. 2.

Norm of the electronic decaying wave function versus time for the three test examples (from left to right: fast, mean, and slow decay). Results from quantum calculations are presented in red lines. Semi-classical results are reported in black dots.

Image of FIG. 3.
FIG. 3.

Kinetic energy release distribution for the three test examples (from left to right: fast, mean, and slow decay). Results from quantum calculations are presented in red lines. Semi-classical results are reported in black bars. Convolution of the semiclassical results with a Gaussian function of 0.7 eV FWHM is shown in dashed line.

Image of FIG. 4.
FIG. 4.

Potential energy curves of the helium dimer involved in ICD. The potential energy curves of the decaying electronic states at short interatomic distances are shown in the inset. The blue and red curves correspond to the decaying and final states used in the present work, respectively. The initial nuclear wave packet is shown in yellow shaded area.

Image of FIG. 5.
FIG. 5.

Semi-classical initial internuclear distance distribution (black bars) compared to the initial nuclear density (red line).

Image of FIG. 6.
FIG. 6.

Kinetic energy release distribution for the helium dimer. Results from quantum calculations are presented in red lines. Semi-classical results are reported in black bars. Convolution of the semiclassical results with a Gaussian function of 0.7 eV FWHM is shown in dashed line.

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/content/aip/journal/jcp/139/7/10.1063/1.4818491
2013-08-19
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Nuclear dynamics of decaying states: A semiclassical approach
http://aip.metastore.ingenta.com/content/aip/journal/jcp/139/7/10.1063/1.4818491
10.1063/1.4818491
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