Smith, Maile E. and Lucchese, Robert R. and McKoy, Vincent (1984) Schwinger variational principle applied to long-range potentials. Physical Review A, 29 (4). pp. 1857-1864. ISSN 0556-2791 http://resolver.caltech.edu/CaltechAUTHORS:SMIpra84
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We discuss an adaptation of the Schwinger variational principle which is particularly suitable for dealing with long-range potentials. The method treats the direct interaction potential exactly by numerical integration and assumes a separable representation of the Schwinger type for the exchange potential. The method should be very effective for obtaining the electronic continuum solutions of strongly polar molecular ions. The related photoionization cross sections can be shown to be variationally stable.
|Additional Information:||©1984 The American Physical Society. Received 2 September 1983. This material is based upon work supported by the National Science Foundation under Grant No. CHE-81-28166. One of us (M.E.S.) acknowledges support of a National Science Foundation (NSF) fellowship. The research reported in this paper made use of the Dreyfus-NSF Theoretical Chemical Computer which was funded through grants from the Camille and Henry Dreyfus Foundation, the National Science Foundation (Grant No. CHE-78-20235), and the Sloan Fund of the California Institute of Technology.|
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|Deposited On:||18 Sep 2008 22:31|
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