Wavepacket theory of collisional dissociation in molecules

Conference · Mon Dec 31 23:00:00 EST 1979

OSTI ID:5154482

Kulander, K

An explicit integration scheme is used to solve the time dependent Schroedinger equation for wavepackets which model collisions in the collinear H + H/sub 2/ system. A realistic LEPS-type potential energy surface is used. Collision energies considered are above the dissociation threshold and probabilities for collision induced dissociation are reported. Also quantum mechanical state-to-state transition probabilities are generated. These results are compared to extensive classical trajectory calculations performed on this same system. The time evolution of the wavepacket densities is studied to understand the dynamics of the collinear collisional dissociation process.

• Research Organization: California Univ., Livermore (USA). Lawrence Livermore National Lab.
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 5154482
• Report Number(s): UCRL-84785; CONF-800829-2
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
CRYOGENIC FLUIDS
DISSOCIATION
ELEMENTS
ENERGY
ENERGY LEVELS
ENERGY RANGE
ENERGY-LEVEL TRANSITIONS
EV RANGE
EXCITED STATES
FLUIDS
HYDROGEN
MOLECULE COLLISIONS
NONMETALS
POTENTIAL ENERGY
ROTATIONAL STATES
VIBRATIONAL STATES