EXTRAPOLATION METHOD FOR CROSS-SECTION FROM QUANTUM-MECHANICAL J=0 REACTIVITY - H-2(O)

Authors
VARANDAS AJC
Citation
Ajc. Varandas, EXTRAPOLATION METHOD FOR CROSS-SECTION FROM QUANTUM-MECHANICAL J=0 REACTIVITY - H-2(O), Molecular physics, 85(6), 1995, pp. 1159-1164
Citations number
27
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
85
Issue
6
Year of publication
1995
Pages
1159 - 1164
Database
ISI
SICI code
0026-8976(1995)85:6<1159:EMFCFQ>2.0.ZU;2-O
Abstract
A method is suggested to extract the total cross-section from the J = 0 quantum mechanical reactive probability. It uses a J-distribution de fined from the cut-off total angular momentum, which is calibrated usi ng quasiclassical trajectories. For the title reaction, the calculated total cross-section as a function of energy shows for the first time a sharp maximum in agreement with experiment.