Charge transfer and excitation in H++CH3 collisions below 10keV

作     者：Masatoshi Nagao Ken-nosuke Hida Mineo Kimura Sachchida N. Rai Heinz-Peter Liebermann Robert J. Buenker Hiroya Suno Phillip C. Stancil 

作者机构：Department of Physics and Astronomy and the Center for Simulational Physics The University of Georgia Athens Georgia 30602 USA 

出 版 物：《Physical Review A》 (物理学评论A辑：原子、分子和光学物理学)

年 卷 期：2008年第78卷第1期

页      面：012708-012708页

核心收录：

学科分类：070207[理学-光学] 07[理学] 08[工学] 0803[工学-光学工程] 0702[理学-物理学] 

主　　题：CONFIGURATION-INTERACTION METHOD CI CALCULATIONS ENERGY EXTRAPOLATION INELASTIC PROCESSES ELECTRONS REGIME STATES 

摘      要：Charge transfer and electronic excitation in collisions of H+ ions with CH3 from a few tens of eV up to 10keV are theoretically investigated. The adiabatic potential energy curves and corresponding wave functions are calculated by using the multireference single- and double-excitation configuration interaction method, and the scattering dynamics is studied based on the semiclassical impact parameter molecular-orbital close-coupling approach. Charge-transfer cross sections are found to be large and rather energy-dependent over the entire energy region studied. Electronic excitation is also energy-dependent with a sharp increase from below 10−17to10−16cm2. Most of the molecular products produced through charge transfer or excitation are known to be unstable and undergo fragmentation producing various hydrocarbon radical species. Hence, identification of fragmented species and their production mechanism are important for spectroscopic analysis.