ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The interaction of low-energy electrons with H+2 and ligh with H2 is analyzed using the R-matrix method including both coupled state and polarization effects ab initio. Particular attention is paid to the energy region containing low-lying H*2 resonances which converge to H+2 A 2Σ+u. Resonances in both elastic scattering and the photoionization asymmetry parameter, β, are presented. At low photon eneries, satisfactory results for vibrationally resolved photoionization are obtained using the adiabatic nuclei approximation. The use of nonadiabatic techniques for higher energies is discussed.
Additional Material:
7 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560290502
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