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

被引:7
作者
Dora, Amar [1 ]
Tennyson, Jonathan [2 ]
机构
[1] North Orissa Univ, Dept Chem, Baripada 757003, Odisha, India
[2] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England
关键词
carbon monoxide; resonances; R-matrix; potential energy curves; CROSS-SECTION MEASUREMENTS; CARBON-MONOXIDE; DISSOCIATIVE ATTACHMENT; IMPACT EXCITATION; RESONANCES; SCATTERING; PROGRAM; SPECTROSCOPY;
D O I
10.1088/1361-6455/aba5b0
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Resonance energies and widths of eight long-lived metastable electronic states of the CO(-)anion are obtained using theR-matrix method as a function of bond distance. High-levelab initioscattering 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(2)sigma(+), four(2)pi and one(2)Delta, in the 10-14 eV region are reported, along with the data on the low-lying(2)pi shape resonance. These curves provide a starting point for performing nuclear dynamics and hence studies of dissociative attachment via these states.
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页数:9
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