QUANTUM REACTIVE SCATTERING USING THE S-MATRIX KOHN VARIATIONAL METHOD

John Z.H. Zhang
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John Z.H. Zhang: Department of Chemistry, New York University, New York, NY 10003, USA

International Journal of Modern Physics C (IJMPC), 1992, vol. 03, issue 06, 1351-1364

Abstract: This paper intends to give a short review on the recent progress and application of the S-matrix Kohn variational method to quantum reactive scattering in gas phase. The basic formalisms of the S-matrix Kohn method are reviewed and several numerical techniques that improve the efficiency of the Kohn method are described in the review. These include the body-fixed representation, quasi-adiabatic basis contraction method, and the use of distorted waves in numerical application. The efficacy of these numerical techniques are illustrated by numerical results obtained by using the latest version of the S-matrix Kohn variational method for three-dimensionalF+H2andF+D2reactions.

Date: 1992
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DOI: 10.1142/S0129183192000920

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