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Calculations of near-threshold cross sections for photodissociation of CH plus using the Lanczos algorithm

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JOURNAL OF CHEMICAL PHYSICS
卷 122, 期 4, 页码 -

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AMER INST PHYSICS
DOI: 10.1063/1.1836760

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We combine the Lanczos algorithm with the absorbing-potential method, implemented in a discrete variable representation to calculate the near-threshold photodissociation cross sections of CH+. The method is iterative, based on a continued fraction representation of the Green function and avoids any explicit matrix diagonalization. A very good agreement is found with experiment and close-coupling calculations. (C) 2005 American Institute of Physics.

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