Trajectory-surface-hopping study of Na(3p /sup 2/P) +H/sub 2/. -->. Na(3s /sup 2/S)+H/sub 2/(v', j', theta)

Journal Article · Mon Aug 01 00:00:00 EDT 1983 · J. Chem. Phys.; (United States)

OSTI ID:5909832

Blais, N C; Truhlar, D G

Trajectory-surface-hopping calculations involving the three lowest-energy /sup 2/A' potential surfaces are reported for Na(3p /sup 2/P) collisions with H/sub 2/(v = 0, low j) at 0.9 kcal/mol relative translational energy. In addition to the total quenching cross section, we report distributions of final translational energy, final vibrational and rotational quantum numbers, internal energy, scattering angle, and collision time for the quenching collisions. We also report the opacity function, the correlation of scattering angle with impact parameter, and separate product translational spectra for the forward and backward scattered halves of the quenched ensemble. These results provide a detailed picture of the chemical dynamics of a typical quenching system proceeding through a quasibound intermediate configuration with large ionic character.

• Research Organization: Chemistry Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
• OSTI ID: 5909832
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 79:3; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ADIABATIC PROCESSES
ALKALI METALS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
COUPLING
CROSS SECTIONS
DE-EXCITATION
ELEMENTS
ENERGY
ENERGY DEPENDENCE
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
FUNCTIONS
HYDROGEN
MATRIX ELEMENTS
METALS
MOLECULE COLLISIONS
NONMETALS
POTENTIAL ENERGY
RESONANCE
SODIUM
VIBRATIONAL STATES
WAVE FUNCTIONS