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
Creators
- 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
Identifiers
- URL
- http://stacks.iop.org/0953-4075/37/1605/b4_8_004.pdf; http://www.iop.org/;
- DOI
- 10.1088/0953-4075/37/8/004;
- PII
- S0953-4075(04)71872-6;
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