TIME-DEPENDENT WAVEPACKET STUDY OF THE COLLINEAR REACTION HE-2(+)-]HEH++H(H)

Citation
N. Balakrishnan et N. Sathyamurthy, TIME-DEPENDENT WAVEPACKET STUDY OF THE COLLINEAR REACTION HE-2(+)-]HEH++H(H), Chemical physics letters, 240(1-3), 1995, pp. 119-124
Citations number
35
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00092614
Volume
240
Issue
1-3
Year of publication
1995
Pages
119 - 124
Database
ISI
SICI code
0009-2614(1995)240:1-3<119:TWSOTC>2.0.ZU;2-X
Abstract
State-selected reaction probabilities for the collinear reaction He H-2(+)(upsilon) --> HeH+ + H have been computed for upsilon = 0-4 over a wide range of energies (to the dissociation limit), using the time- dependent wavepacket approach via time-energy mapping of the reactive flux. The results reproduce quantitatively the narrow reactive scatter ing resonances observed in earlier time-independent quantum mechanical results of Sakimoto and Onda [Chem. Phys. Letters 226 (1994) 227] thu s demonstrating the viability and reliability of the method for such s ystems.