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Citation: Sun Qiyan, Wu Dayong*, Lou Nanquan. REACTIVE SCATTERING CALCULATIONS OF COLLINEAR TRIATOMIC SYSTEMS IN HYPERSPHERICAL COORDINATES BY FIRST-ORDER MAGNUS NUMERICAL PROPAGATION METHOD[J]. Acta Physico-Chimica Sinica, ;1988, 4(03): 296-300. doi: 10.3866/PKU.WHXB19880314 shu

REACTIVE SCATTERING CALCULATIONS OF COLLINEAR TRIATOMIC SYSTEMS IN HYPERSPHERICAL COORDINATES BY FIRST-ORDER MAGNUS NUMERICAL PROPAGATION METHOD

1.
Dalian Institute of Chemical Physics; Academia Sinica

Received Date: 22 September 1986
Available Online: 15 June 1988

Hyperspherical coordinates are employed in describing collinear triatomic reactive scattering. Close-coupling differential equations are obtained by radial piece-wise semi-adiabatic expansion, and solved by first-order Magnus numerical propagation method with multistep exchange-set and reortho nalization procedures. Applicating to H+H_2 and F+H_2 systems, we obtained od results which are in accordance with results of other method for the same systems.
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