论文信息 - Comparison of boundary-value and initial-value methods for the accurate quantum-mechanical solution of the collinear reactive scattering problem☆

Comparison of boundary-value and initial-value methods for the accurate quantum-mechanical solution of the collinear reactive scattering problem☆

Abstract Quantum-mechanical nonreactive and reactive scattering probabilities determined by two independent numerical methods for the collinear H + H 2 reaction on a realistic potential-energy surface are in very good agreement. The results therefore provide a reliable touchstone for other independent calculations.

Donald G. Truhlar | Aron Kuppermann | D. Truhlar | D. J. Diestler | A. Kuppermann

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