Published October 14, 2020
| Version v1
Journal article
Electron collisions with CO molecule: potential energy curves of higher lying CO− resonant states
Creators
- 1. Department of Chemistry, North Orissa University, Baripada 757003, Odisha (India)
- 2. Department of Physics and Astronomy, University College London, Gower St., London, WC1E 6BT (United Kingdom)
Description
Resonance energies and widths of eight long-lived metastable electronic states of the CO− anion are obtained using the R-matrix method as a function of bond distance. High-level ab initio scattering calculations are performed for a large number (above 150) of fixed-nuclear geometries using the large cc-pV6Z Gaussian basis set and a close-coupling model involving 27 low-lying target states. Potential curves for narrow resonances, three 2Σ+, four 2Π and one 2Δ, in the 10–14 eV region are reported, along with the data on the low-lying 2Π shape resonance. These curves provide a starting point for performing nuclear dynamics and hence studies of dissociative attachment via these states. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/1361-6455/aba5b0Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. B, Atomic, Molecular and Optical Physics
- Journal Volume
- 53
- Journal Issue
- 19
- Journal Page Range
- [9 p.]
- ISSN
- 0953-4075
- CODEN
- JPAPEH
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 52055910
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ANIONS; BOND LENGTHS; CARBON MONOXIDE; ELECTRON-MOLECULE COLLISIONS; MOLECULAR IONS; POTENTIAL ENERGY; R MATRIX; RESONANCE; SCATTERING
- Descriptors DEC
- CARBON COMPOUNDS; CARBON OXIDES; CHALCOGENIDES; CHARGED PARTICLES; COLLISIONS; DIMENSIONS; ELECTRON COLLISIONS; ENERGY; IONS; LENGTH; MATRICES; MOLECULE COLLISIONS; OXIDES; OXYGEN COMPOUNDS