Higher lying resonances in low-energy electron scattering with carbon monoxide

被引:12
作者
Dora, Amar [1 ]
Tennyson, Jonathan [2 ]
Chakrabarti, Kalyan [3 ]
机构
[1] North Orissa Univ, Dept Chem, Baripada 757003, Odisha, India
[2] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England
[3] Scottish Church Coll, Dept Math, 1 & 3 Urquhart Sq, Kolkata 700006, India
关键词
R-MATRIX METHOD; DIFFERENTIAL CROSS-SECTIONS; TIME-DELAY MATRIX; IMPACT EXCITATION; INTERMEDIATE ENERGIES; RYDBERG STATES; DISSOCIATIVE ATTACHMENT; MOLECULE-SCATTERING; NEAR-THRESHOLD; NEGATIVE-IONS;
D O I
10.1140/epjd/e2016-70124-7
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
R-matrix calculations on electron collisions with CO are reported whose aim is to identify any higher-lying resonances above the well-reported and lowest (2) I resonance at about 1.6 eV. Extensive tests with respect to basis sets, target models and scattering models are performed. The final results are reported for the larger cc-pVTZ basis set using a 50 state close-coupling (CC) calculation. The Breit-Wigner eigenphase sum and the time-delay methods are used to detect and fit any resonances. Both these methods find a very narrow (2) I pound (+) symmetry Feshbach-type resonance very close to the target excitation threshold of the b (3) I pound (+) state which lies at 12.9 eV in the calculations. This resonance is seen in the CC calculation using cc-pVTZ basis set while a CC calculation using the cc-pVDZ basis set does not produce this feature. The electronic structure of CO- is analysed in the asymptotic region; 45 molecular states are found to correlate with states dissociating to an anion and an atom. Electronic structure calculations are used to study the behaviour of these states at large internuclear separation. Quantitative results for the total, elastic and electronic excitation cross sections are also presented. The significance of these results for models of the observed dissociative electron attachment of CO in the 10 eV region is discussed.
引用
收藏
页数:10
相关论文
共 89 条
[2]   Electron collisions with CO: Elastic and vibrational excitation cross sections [J].
Allan, M. .
PHYSICAL REVIEW A, 2010, 81 (04)
[3]  
[Anonymous], 1979, Molecular Spectra and Molecular Siructure: IV. Constants of Diatomic Molecules
[4]   RECENT EXPERIMENTAL ACHIEVEMENTS WITH NEGATIVE-IONS [J].
BLONDEL, C .
PHYSICA SCRIPTA, 1995, T58 :31-42
[5]   RESONANCES IN THE ELECTRONIC EXCITATION OF MOLECULAR-HYDROGEN [J].
BRANCHETT, SE ;
TENNYSON, J .
PHYSICAL REVIEW LETTERS, 1990, 64 (24) :2889-2891
[6]   ELECTRONIC EXCITATION OF MOLECULAR-HYDROGEN USING THE R-MATRIX METHOD [J].
BRANCHETT, SE ;
TENNYSON, J ;
MORGAN, LA .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1990, 23 (24) :4625-4639
[7]   R-matrix calculations of low-energy electron collisions with methane [J].
Brigg, Will J. ;
Tennyson, Jonathan ;
Plummer, Martin .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2014, 47 (18)
[8]   DISSOCIATIVE ELECTRON ATTACHMENT IN CO - ANGULAR-DISTRIBUTION OF O-IONS [J].
CADEZ, I ;
TRONC, M ;
HALL, RI .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1975, 8 (05) :L73-L76
[9]   Electron impact vibrational excitation of carbon monoxide in the upper atmospheres of Mars and Venus [J].
Campbell, L. ;
Allan, M. ;
Brunger, M. J. .
JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS, 2011, 116
[10]   Electron impact excitation of carbon monoxide in comet Hale-Bopp [J].
Campbell, L. ;
Brunger, M. J. .
GEOPHYSICAL RESEARCH LETTERS, 2009, 36