Recent developments in semiclassical mechanics: eigenvalues and reaction rate constants
Conference
·
OSTI ID:7175311
A semiclassical treatment of eigenvalues for a multidimensional non-separable potential function and of the rate constant for a chemical reaction with an activation barrier is presented. Both phenomena are seen to be described by essentially the same semiclassical formalism, which is based on a construction of the total Hamiltonian in terms of the complete set of ''good'' action variables (or adiabatic invariants) associated with the minimum in the potential energy surface for the eigenvalue case, or the saddle point in the potential energy surface for the case of chemical reaction.
- Research Organization:
- California Univ., Berkeley (USA). Lawrence Berkeley Lab.
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 7175311
- Report Number(s):
- LBL-4998; CONF-760467-1
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400000 -- Chemistry
640304 -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
645500* -- High Energy Physics-- Scattering Theory-- (-1987)
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
74 ATOMIC AND MOLECULAR PHYSICS
CHEMICAL REACTION KINETICS
DIFFERENTIAL EQUATIONS
EIGENVALUES
ENERGY
EQUATIONS
FUNCTIONS
HAMILTON-JACOBI EQUATIONS
HAMILTONIAN FUNCTION
KINETICS
MATRICES
ORBITS
POTENTIAL ENERGY
REACTION KINETICS
S MATRIX
SEMICLASSICAL APPROXIMATION
400000 -- Chemistry
640304 -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
645500* -- High Energy Physics-- Scattering Theory-- (-1987)
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
74 ATOMIC AND MOLECULAR PHYSICS
CHEMICAL REACTION KINETICS
DIFFERENTIAL EQUATIONS
EIGENVALUES
ENERGY
EQUATIONS
FUNCTIONS
HAMILTON-JACOBI EQUATIONS
HAMILTONIAN FUNCTION
KINETICS
MATRICES
ORBITS
POTENTIAL ENERGY
REACTION KINETICS
S MATRIX
SEMICLASSICAL APPROXIMATION