A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface

Lynn C. Geiger; George C Schatz; Lawrence B. Harding

doi:10.1016/0009-2614(85)85133-2

A quasi-classical trajectory study of collisions of fast H atoms with CO using an accurate ab initio potential surface

Lynn C. Geiger, George C Schatz, Lawrence B. Harding

Northwestern University

Research output: Contribution to journal › Article › peer-review

30 Citations (Scopus)

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	https://doi.org/10.1016/0009-2614(85)85133-2
Publication status	Published - Mar 15 1985

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Spectroscopy
Condensed Matter Physics
Atomic and Molecular Physics, and Optics
Surfaces and Interfaces

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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.",

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AU - Schatz, George C

AU - Harding, Lawrence B.

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