Abstract
A recently proposed (semiclassical) classical path method for treating reactive scattering is reviewed. This method exploits properties of hyperspherical coordinates which allow a collision coordinate to be defined without reference to the arrangement of the particles. The coordinate space is divided into classical and quantal subspaces such that the description of the “arrangement” is quantal. Selected results are presented for the three‐dimensional D + H2 → HD + H reaction.
| Original language | English |
|---|---|
| Pages (from-to) | 179-186 |
| Number of pages | 8 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 36 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1989 |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry
Cite this
A classical path approach to reactive scattering. / Billing, G. D.; Muckerman, James.
In: International Journal of Quantum Chemistry, Vol. 36, No. 2, 1989, p. 179-186.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - A classical path approach to reactive scattering
AU - Billing, G. D.
AU - Muckerman, James
PY - 1989
Y1 - 1989
N2 - A recently proposed (semiclassical) classical path method for treating reactive scattering is reviewed. This method exploits properties of hyperspherical coordinates which allow a collision coordinate to be defined without reference to the arrangement of the particles. The coordinate space is divided into classical and quantal subspaces such that the description of the “arrangement” is quantal. Selected results are presented for the three‐dimensional D + H2 → HD + H reaction.
AB - A recently proposed (semiclassical) classical path method for treating reactive scattering is reviewed. This method exploits properties of hyperspherical coordinates which allow a collision coordinate to be defined without reference to the arrangement of the particles. The coordinate space is divided into classical and quantal subspaces such that the description of the “arrangement” is quantal. Selected results are presented for the three‐dimensional D + H2 → HD + H reaction.
UR - http://www.scopus.com/inward/record.url?scp=84990706260&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84990706260&partnerID=8YFLogxK
U2 - 10.1002/qua.560360209
DO - 10.1002/qua.560360209
M3 - Article
AN - SCOPUS:84990706260
VL - 36
SP - 179
EP - 186
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
SN - 0020-7608
IS - 2
ER -