Published April 28, 2004 | Version v1
Journal article

Quantum scattering equations for non-adiabatic transitions in collisions between a Hund case (c) diatomic molecule and a structureless atom with application to I2(E0+g) + Ar

  • 1. Laboratory of Molecular Structure and Quantum Mechanics, Department of Chemistry, Moscow State University, Moscow 119992 (Russian Federation)

Description

Time-independent quantum scattering close coupled equations are derived for non-adiabatic collisions involving a Hund case (c) diatomic molecule and a structureless particle. Infinite-order sudden and/or exponential distorted wave approximations are introduced to reduce the size of the system of close-coupled equations. The theory developed is applied to the study of non-adiabatic transitions between the first-tier ion-pair electronic states of an iodine molecule in collisions with Ar atoms. Calculations of cross sections and rate constants indicate the necessity of the close-coupling treatment of the vibronic channels and provide qualitative agreement with available experimental data

Availability note (English)

Available online at http://stacks.iop.org/0953-4075/37/1605/b4_8_004.pdf or at the Web site for the Journal of Physics. B, Atomic, Molecular and Optical Physics (ISSN 1361-6455) http://www.iop.org/

Additional details

Publishing Information

Journal Title
Journal of Physics. B, Atomic, Molecular and Optical Physics
Journal Volume
37
Journal Issue
8
Journal Page Range
p. 1605-1619
ISSN
0953-4075
CODEN
JPAPEH

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
35069199
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ARGON; ATOM-MOLECULE COLLISIONS; ATOMS; COUPLING; CROSS SECTIONS; DWBA; EQUATIONS; IODINE; ION PAIRS; MOLECULES; SCATTERING
Descriptors DEC
ATOM COLLISIONS; BORN APPROXIMATION; COLLISIONS; ELEMENTS; FLUIDS; GASES; HALOGENS; MOLECULE COLLISIONS; NONMETALS; RARE GASES