Abstract
The quasi-classical trajectory method is used in conjunction with a globally determined ab initio surface to study translational to vibrational excitation in collisions of hot H atoms with CO. Good agreement with experiment is obtained. Sensitivity of the results to features of the surface is analyzed.
| Original language | English |
|---|---|
| Pages (from-to) | 520-525 |
| Number of pages | 6 |
| Journal | Chemical Physics Letters |
| Volume | 114 |
| Issue number | 5-6 |
| DOIs | |
| Publication status | Published - Mar 15 1985 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Condensed Matter Physics
- Atomic and Molecular Physics, and Optics
- Surfaces and Interfaces
Cite this
A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface. / Geiger, Lynn C.; Schatz, George C; Harding, Lawrence B.
In: Chemical Physics Letters, Vol. 114, No. 5-6, 15.03.1985, p. 520-525.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface
AU - Geiger, Lynn C.
AU - Schatz, George C
AU - Harding, Lawrence B.
PY - 1985/3/15
Y1 - 1985/3/15
N2 - The quasi-classical trajectory method is used in conjunction with a globally determined ab initio surface to study translational to vibrational excitation in collisions of hot H atoms with CO. Good agreement with experiment is obtained. Sensitivity of the results to features of the surface is analyzed.
AB - The quasi-classical trajectory method is used in conjunction with a globally determined ab initio surface to study translational to vibrational excitation in collisions of hot H atoms with CO. Good agreement with experiment is obtained. Sensitivity of the results to features of the surface is analyzed.
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UR - http://www.scopus.com/inward/citedby.url?scp=0006585802&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(85)85133-2
DO - 10.1016/0009-2614(85)85133-2
M3 - Article
AN - SCOPUS:0006585802
VL - 114
SP - 520
EP - 525
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 5-6
ER -