Published October 14, 2020 | Version v1
Journal article

Electron collisions with CO molecule: potential energy curves of higher lying CO resonant states

  • 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/aba5b0

Additional 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