Stabilization calculations and probability densities for the well-studied collisional resonances in collinear F + H/sub 2/, F + HD, and F + D/sub 2/

Journal Article · Thu Jan 19 04:00:00 EST 1984 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j150646a011· OSTI ID:7138453

Thompson, T C; Truhlar, D G

The stabilization method with a two-dimensional harmonic oscillator basis set to calculate resonance wave functions for the collinear reactions F + H/sub 2/ ..-->.. FH + H, F + HD ..-->.. FH + D, and F + D/sub 2/ ..-->.. FD + D on the well-studied Muckerman no. 5 potential energy surface were used. Presented was plots of eigenvalue vs. scale parameter and contour maps of probability density absolute value psi/sup 2/ both showing the relative stability of resonance roots for these systems. In addition, the contour maps provide a clear assignment of quantum numbers and a pictorial illustration of the dynamical interpretation of the resonances. 6 figures.

• Research Organization: Univ. of Minnesota, Minneapolis
• OSTI ID: 7138453
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 88:2; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400500* -- Photochemistry
EIGENVALUES
ELECTRONIC EQUIPMENT
ELEMENTS
ENERGY
ENERGY LEVELS
EQUIPMENT
EXCITED STATES
FLUORINE
HALOGENS
HARMONIC OSCILLATORS
HYDROGEN
KINETICS
NONMETALS
OSCILLATORS
POTENTIAL ENERGY
QUANTUM NUMBERS
REACTION KINETICS
RESONANCE
STABILIZATION
VIBRATIONAL STATES