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Relaxation effects in molecular K-shell photoionization

Lynch, D. L. and McKoy, V. (1984) Relaxation effects in molecular K-shell photoionization. Physical Review A, 30 (3). pp. 1561-1564. ISSN 0556-2791. doi:10.1103/PhysRevA.30.1561.

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The effects of core relaxation on the shape-resonant K-shell photoionization cross section in N2 are shown to be very significant. Cross relaxation produces substantial broadening and shifting of the shape resonance to higher energy. The results suggest that the frozen-core approximation may not be an appropriate model for K-shell photoionization involving a low-energy shape resonance.

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Additional Information:©1984 The American Physical Society Received 4 June 1984 One of the authors (V.McK.) would like to acknowledge very helpful discussions with Dr. L. Collins, Dr. A. Hazi, Dr. T. Rescigno, and Dr. B. Schneider. We also thank Dr. W.A. Goddard III and Dr. A. Voter for considerable help on the treatment of the nonorthogonality feature arising from these studies. This material is based upon work supported by the National Science Foundation under Grant No. CHE-8218166. The authors acknowledge computing support from the National Center for Atmospheric Research (NCAR) which is sponsored by the National Science Foundation.
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Deposited On:17 Nov 2006
Last Modified:08 Nov 2021 20:31

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