Interaction of molecular nitrogen with free-electron-laser radiation

被引：15
作者：
Banks, H. I. B. [1 ]
Little, D. A. [1 ]
Tennyson, J. [1 ]
Emmanouilidou, A. [1 ]
机构：
[1] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2017年 / 19卷 / 30期
关键词：
AUGER-ELECTRON; SPECTROSCOPY; SPECTRA; CORE; N-2; DECAY; HOLE; N2O; CO2;
D O I：
10.1039/c7cp02345f
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We compute molecular continuum orbitals in the single center expansion scheme. We then employ these orbitals to obtain molecular Auger rates and single-photon ionization cross sections to study the interaction of N-2 with Free-Electron-Laser (FEL) pulses. The nuclei are kept fixed. We formulate rate equations for the energetically allowed molecular and atomic transitions and we account for dissociation through additional terms in the rate equations. Solving these equations for different parameters of the FEL pulse, allows us to identify the most efficient parameters of the FEL pulse for obtaining the highest contribution of double core hole states (DCH) in the final atomic ion fragments. Finally we identify the contribution of DCH states in the electron spectra and show that the DCH state contribution is more easily identified in the photo-ionization rather than the Auger transitions.
引用
收藏
页码：19794 / 19806
页数：13
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