Quantum mechanical reactive scattering theory for simple chemical reactions: Recent developments in methodology and applications
- Department of Chemistry, University of California, Berkeley, CA (USA) Materials and Chemical Sciences Division, LawrenceBerkeley Laboratory, Berkeley, CA (USA)
It has been discovered that the S-matrix version of the Kohn variational principle is free of the Kohn anomalies'' that have plagued other versions and prevented its general use. This has made a major contribution to heavy particle reactive (and also to electron-atom/molecule) scattering which involve non-local (i.e, exchange) interactions that prevent solution of the coupled channel equations by propagation methods. This paper reviews the methodology briefly and presents a sample of integral and differential cross sections that have been obtained for the H+H{sub 2}{r arrow}H{sub 2}+H and D+H{sub 2}{r arrow}HD+H reactions in the high energy region (up to 1.2 eV translational energy) relevant to resonance structures reported in recent experiments.
- DOE Contract Number:
- AC03-76SF00098
- OSTI ID:
- 6144900
- Report Number(s):
- CONF-890708--
- Journal Information:
- AIP Conference Proceedings (American Institute of Physics); (USA), Journal Name: AIP Conference Proceedings (American Institute of Physics); (USA) Vol. 205:1; ISSN 0094-243X; ISSN APCPC
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTIONS
COLLISIONS
CROSS SECTIONS
DATA
DEUTERIDES
DEUTERIUM
DEUTERIUM COMPOUNDS
DISSOCIATION
DOCUMENT TYPES
ELECTRON COLLISIONS
ELECTRON-ATOM COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELEMENTS
ENERGY RANGE
EV RANGE
EV RANGE 01-10
HYDROGEN
HYDROGEN COMPOUNDS
HYDROGEN DEUTERIDE
HYDROGEN ISOTOPES
INFORMATION
ISOTOPES
LIGHT NUCLEI
MATRICES
MECHANICS
MILLI EV RANGE
MOLECULE COLLISIONS
NONMETALS
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
QUANTUM MECHANICS
REVIEWS
S MATRIX
STABLE ISOTOPES
THEORETICAL DATA