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Rigorous method for computing photoabsorption cross sections from a basis-set expansion

Rescigno, Thomas N. and McKoy, Vincent (1975) Rigorous method for computing photoabsorption cross sections from a basis-set expansion. Physical Review A, 12 (2). pp. 522-525. ISSN 0556-2791. doi:10.1103/PhysRevA.12.522.

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We present a rigorous technique, which should be applicable to both atoms and molecules, for calculating photoabsorption cross sections using square-integrable basis functions. The technique is based on the method of complex coordinates as developed by Nuttall and co-workers. In contrast to some other L2 methods, the calculations converge directly at real energies. The method is illustrated by application to the case of atomic hydrogen.

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Additional Information:©1975 The American Physical Society. Received 11 November 1974. The authors are grateful to C.W. McCurdy for many interesting discussions concerns various aspects of this work. One of the authors (T.N.R.) also thanks Dr. D.L. Huestis for restimulating his interest in this problem. Supported by a grant from the NSF. Arthur Amos Noyes Laboratory of Chemical Physics, Contribution No. 5012.
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Deposited On:03 Jun 2008
Last Modified:08 Nov 2021 21:10

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