Wavepacket theory of collisional dissociation in molecules

Conference · Tue Jan 01 00:00:00 EST 1980

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; TRN: 80-015656
• Resource Relation: Conference: International conference on the few body problems, Eugene, OR, USA, 17 Aug 1980
• Country of Publication: United States
• Language: English

Related Subjects

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