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Photoelectron spectroscopy of the anions: A model beyond the rotationless and Franck–Condon approximations
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10.1063/1.2894306
/content/aip/journal/jcp/128/15/10.1063/1.2894306
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/15/10.1063/1.2894306

Figures

Image of FIG. 1.
FIG. 1.

Measured and simulated PE spectra of the complex. Best-fit simulated envelopes were obtained with for normal ratio and with for the model ratio. .

Image of FIG. 2.
FIG. 2.

Simulated PE spectra of the complex at optimal and artificially small values.

Image of FIG. 3.
FIG. 3.

Decomposition of the PE spectra of the complex onto the contributions from distinct spin form, panel (a), neutral electronic states, panel (b), and neutral bound and metastable levels, panel (c).

Image of FIG. 4.
FIG. 4.

Measured and simulated PE (top panel) and SEVI (bottom panel) spectra of the complex. Best-fit simulated PE spectral envelopes were obtained with and for normal ratio and with and for the model ratio. Best-fit simulated SEVI spectral envelopes were obtained with and for normal ratio and with and for the model ratio. Bottom panel also compares the measured PE and SEVI spectra.

Image of FIG. 5.
FIG. 5.

Simulated PE (top panel) and SEVI (bottom panel) spectra of the complex at optimal and artificially small values.

Image of FIG. 6.
FIG. 6.

Same as Fig. 3 but for the PE spectrum.

Image of FIG. 7.
FIG. 7.

Comparison of the narrow spectra calculated using the TD approach (Ref. 30) (negative scale) and the present model (positive scale). The envelopes of the transitions to and neutral states are shown with separate normalization. Energy is counted from the asymptote. The inset enlarges the region of , transition marked by the box. The unpublished TD spectrum calculated with a Gaussian damping of was kindly provided by Alexander.

Image of FIG. 8.
FIG. 8.

Comparison of the PE spectra simulated using AIM model and FC approximation for TDME’s for the , panel (a) and , panel (c) complexes. Panel (b) presents the decomposition of the FC envelope onto the contributions from distinct neutral electronic states.

Image of FIG. 9.
FIG. 9.

Dependence of the squared TDME’s (see text for details) for three adiabatic states of the neutral on the intermolecular coordinates represented through Cartesian components , .

Tables

Generic image for table
Table I.

Angular momentum quantum numbers used throughout the paper.

Generic image for table
Table II.

Assignment of the dominant features of the PE spectrum. Indicated are the form, para or ortho, and quantum numbers , , and describing the final neutral state. If several transitions contribute to a feature, they are listed in order of ascending energy.

Generic image for table
Table III.

Assignment of the dominant features of the PE and SEVI spectra. Notations are the same as in Table II.

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/content/aip/journal/jcp/128/15/10.1063/1.2894306
2008-04-18
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Photoelectron spectroscopy of the Cl−…H2∕D2 anions: A model beyond the rotationless and Franck–Condon approximations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/128/15/10.1063/1.2894306
10.1063/1.2894306
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