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Title: Theoretical studies of low-energy electron-CO[sub 2] scattering: Total, elastic, and differential cross sections

Abstract

We report the results of a theoretical study of electron scattering by CO[sub 2] at incident electron energies ranging from 0.25 to 10 eV using the complex Kohn variational method. These are the first fully [ital ab initio] calculations to accurately reproduce the two dominant features observed in experiment, namely, the dramatic rise in the integral cross sections below 2.0 eV and the resonance enhancement near 3.8 eV. Both of these effects are sensitive to the inclusion of electronic correlation effects involving long-range target polarization and short-range distortion. We have also carried out a preliminary study of effects of target vibrational motion in [sup 2][Pi][sub u] symmetry with an adiabatic nuclei treatment of the symmetric stretch mode. We find that this has a substantial effect on the width of the 3.8 eV resonance feature and gives results for both the integral elastic and total cross sections in excellent agreement with experiment. Our calculated differential elastic cross sections are also in good accord with recent experimental results. [copyright] [ital 1999] [ital The American Physical Society]

Authors:
 [1];  [2]; ;  [3]
  1. (Physics and Space Technology Directorate, Lawrence Livermore National Laboratory, Livermore, California 94551 (United States))
  2. (Department of Applied Science, University of California--Davis, Livermore, California 94551 (United States))
  3. (Computing Sciences Directorate, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States))
Publication Date:
OSTI Identifier:
6294736
Alternate Identifier(s):
OSTI ID: 6294736
Resource Type:
Journal Article
Journal Name:
Physical Review A
Additional Journal Information:
Journal Volume: 60:3; Journal ID: ISSN 1050-2947
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; CARBON COMPOUNDS; CARBON DIOXIDE; DIFFERENTIAL CROSS SECTIONS; ELASTIC SCATTERING; ELECTRON-MOLECULE COLLISIONS; EV RANGE 01-10; EXCITATION; EXCITED STATES; MILLI EV RANGE; POLARIZATION; RESONANCE; TOTAL CROSS SECTIONS; VARIATIONAL METHODS; VIBRATIONAL STATES; CALCULATION METHODS; CARBON OXIDES; CHALCOGENIDES; COLLISIONS; CROSS SECTIONS; ELECTRON COLLISIONS; ENERGY LEVELS; ENERGY RANGE; ENERGY-LEVEL TRANSITIONS; EV RANGE; MOLECULE COLLISIONS; OXIDES; OXYGEN COMPOUNDS; SCATTERING 664300* -- Atomic & Molecular Physics-- Collision Phenomena-- (1992-)

Citation Formats

Rescigno, T.N., Byrum, D.A., Isaacs, W.A., and McCurdy, C.W. Theoretical studies of low-energy electron-CO[sub 2] scattering: Total, elastic, and differential cross sections. United States: N. p., 1999. Web. doi:10.1103/PhysRevA.60.2186.
Rescigno, T.N., Byrum, D.A., Isaacs, W.A., & McCurdy, C.W. Theoretical studies of low-energy electron-CO[sub 2] scattering: Total, elastic, and differential cross sections. United States. doi:10.1103/PhysRevA.60.2186.
Rescigno, T.N., Byrum, D.A., Isaacs, W.A., and McCurdy, C.W. Wed . "Theoretical studies of low-energy electron-CO[sub 2] scattering: Total, elastic, and differential cross sections". United States. doi:10.1103/PhysRevA.60.2186.
@article{osti_6294736,
title = {Theoretical studies of low-energy electron-CO[sub 2] scattering: Total, elastic, and differential cross sections},
author = {Rescigno, T.N. and Byrum, D.A. and Isaacs, W.A. and McCurdy, C.W.},
abstractNote = {We report the results of a theoretical study of electron scattering by CO[sub 2] at incident electron energies ranging from 0.25 to 10 eV using the complex Kohn variational method. These are the first fully [ital ab initio] calculations to accurately reproduce the two dominant features observed in experiment, namely, the dramatic rise in the integral cross sections below 2.0 eV and the resonance enhancement near 3.8 eV. Both of these effects are sensitive to the inclusion of electronic correlation effects involving long-range target polarization and short-range distortion. We have also carried out a preliminary study of effects of target vibrational motion in [sup 2][Pi][sub u] symmetry with an adiabatic nuclei treatment of the symmetric stretch mode. We find that this has a substantial effect on the width of the 3.8 eV resonance feature and gives results for both the integral elastic and total cross sections in excellent agreement with experiment. Our calculated differential elastic cross sections are also in good accord with recent experimental results. [copyright] [ital 1999] [ital The American Physical Society]},
doi = {10.1103/PhysRevA.60.2186},
journal = {Physical Review A},
issn = {1050-2947},
number = ,
volume = 60:3,
place = {United States},
year = {1999},
month = {9}
}