Collision induced dissociation in collinear H+H/sub 2/: Quantum mechanical probabilities using the time-dependent wavepacket approach

Journal Article · Fri Dec 01 00:00:00 EST 1978 · J. Chem. Phys.; (United States)

OSTI ID:6649388

Kulander, K C

A time-dependent wavepacket approach is used to calculate quantum mechanical probabilities for reaction, dissociation, and inelastic transitions for the collinear H+H/sub 2/ system. The interaction used is a realistic LEPS-type surface. Results are reported for collision energies between 3 and 12 eV and for three different initial vibrational states of the H/sub 2/. The probability of reaction is found to be very small at these energies. We find vibrational enhancement of dissociation and the inelastic transition probabilities from a vibrationally excited diatom have an oscillatory structure. We solve the time-dependent Schroedinger equation using a newly developed predictor--corrector method.

• Research Organization: Science Research Council, Daresbury Laboratory, Daresbury, Warrington WA4 4AD, United Kingdom
• OSTI ID: 6649388
• Journal Information: J. Chem. Phys.; (United States), Vol. 69:11
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
HYDROGEN
ATOM-MOLECULE COLLISIONS
DISSOCIATION
ENERGY-LEVEL TRANSITIONS
QUANTUM MECHANICS
ATOM COLLISIONS
COLLISIONS
CRYOGENIC FLUIDS
ELEMENTS
FLUIDS
MECHANICS
MOLECULE COLLISIONS
NONMETALS
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena