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Electronic-Rotational Coupling in Cl–para-H2 Van der Waals Dimers
Author
Source
Journal of Atomic, Molecular, and Optical Physics
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-12-30
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Abstract EN
We examine the interaction between an open-shell chlorine atom and a para-H2 molecule in the region of configuration space that corresponds to a weakly bound Cl–para-H2 van der Waals dimer.
By constructing and diagonalizing the Hamiltonian matrix that represents the coupled Cl atom electronic and H2 rotational degrees of freedom, we obtain one-dimensional energy curves for the Cl–para-H2 system in this region of configuration space.
We find that the dimer exhibits fairly strong electronic-rotational coupling when the Cl–H2 distance R is close to R=5.5a0; however, this coupling does not modify substantially the positions and depths of the van der Waals wells in the dimer’s E(R) curves.
An approximation in which the para-H2 fragment is treated in the strict j=0 limit thus appears to yield an accurate representation of those states of the weakly bound Cl–para-H2 dimer that correlate with j=0 H2 in the R→∞ limit.
American Psychological Association (APA)
Hinde, Robert J.. 2012. Electronic-Rotational Coupling in Cl–para-H2 Van der Waals Dimers. Journal of Atomic, Molecular, and Optical Physics،Vol. 2012, no. 2012, pp.1-11.
https://search.emarefa.net/detail/BIM-507867
Modern Language Association (MLA)
Hinde, Robert J.. Electronic-Rotational Coupling in Cl–para-H2 Van der Waals Dimers. Journal of Atomic, Molecular, and Optical Physics No. 2012 (2012), pp.1-11.
https://search.emarefa.net/detail/BIM-507867
American Medical Association (AMA)
Hinde, Robert J.. Electronic-Rotational Coupling in Cl–para-H2 Van der Waals Dimers. Journal of Atomic, Molecular, and Optical Physics. 2012. Vol. 2012, no. 2012, pp.1-11.
https://search.emarefa.net/detail/BIM-507867
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-507867