Product state distributions for inelastic and reactive H+D/sub 2/ collisions as functions of collision energy
We have calculated state-to-state reaction cross sections for two new energies and state-to-state vibrationally inelastic cross sections for four energies for H+D/sub 2/ collisions on the most accurate available potential energy surface. The dynamics calculations are based on the quasiclassical trajectory quadratic smooth sampling method. We present a detailed analysis of the theoretical inelastic and reaction cross sections and compare the trends in the reactive scattering results to those calculated from Gerrity and Valentini's experiments and extrapolations thereof. The agreement between theory and experiment for the reactive scattering at 0.98--1.3 eV relative translational energy is stupendously good.
- Research Organization:
- Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
- OSTI ID:
- 5402300
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 83:5; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
Similar Records
ABCD; atom-triatom nonreactive collisions. [CDC7600,CYBER175; FORTRAN IV]
On the dimensionality dependence of the properties of reactive collisions
Related Subjects
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTIONS
COLLISIONS
CROSS SECTIONS
DEUTERIUM
ELEMENTS
ENERGY LEVELS
EXCITED STATES
HYDROGEN
HYDROGEN ISOTOPES
INELASTIC SCATTERING
ISOTOPES
LIGHT NUCLEI
MOLECULE COLLISIONS
NONMETALS
NUCLEI
ODD-ODD NUCLEI
SCATTERING
STABLE ISOTOPES
VIBRATIONAL STATES