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Studies of rotational predissociation of van der Waals molecule by the method of complex coordinate

J. Chem. Phys. 72, 4772 (1980); doi:10.1063/1.439812

Issue Date: 1 May 1980

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Shih-I Chu
Department of Chemistry, University of Kansas, Lawrence, Kansas 66045
A practical method is presented for calculating resonance energies and widths (lifetimes) of metastable states of van der Waals molecules, incorporating the use of complex coordinate transformation and square-integrable basis functions. The utility of the method is illustrated through a study of the level widths and energies of rotationally predissociating atom–diatom model systems. Satisfactory agreement with previous works was found. Besides involving only bound state calculations and being free from imposement of boundary conditions, the method can be readily extendable to multichannel coupling problems. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
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KEYWORDS and PACS

Keywords
PACS
  • 33.80.Gj
    Molecular spectra and interactions of molecules with photons Molecular photon processes Diffuse spectra; predissociation, photodissociation
  • 33.70.Jg
    Molecular spectra and interactions of molecules with photons Intensities and shapes of molecular spectral lines and bands Line and band widths, shapes, and shifts
  • 31.50.+w
    Electronic structure of atoms and molecules: theory Excited states
  • YEAR: 1980

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
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REFERENCES (19)
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