Vibrationally resolved K-shell photoionization cross sections of methane

被引:2
|
作者
Plesiat, Etienne [1 ]
Decleva, Piero [2 ,3 ]
Martin, Fernando [4 ]
机构
[1] Univ Autonoma Madrid, Dept Quim, E-28049 Madrid, Spain
[2] Univ Trieste, Dipartimento Sci Chim & Farmaceut, I-34127 Trieste, Italy
[3] CNR IOM, Trieste, Italy
[4] Inst Madrileno Estudios Avanzados Nanociencia IMD, Madrid 28049, Spain
来源
CENTRAL EUROPEAN JOURNAL OF PHYSICS | 2013年 / 11卷 / 09期
基金
欧洲研究理事会;
关键词
photoelectron spectroscopy; vibrationally resolved spectra; methane; quantum mechanical calculations; ONE-CENTER EXPANSION; VALENCE PHOTOIONIZATION; CONTINUUM; MOLECULES; N-2; CO; CONVERGENCE;
D O I
10.2478/s11534-013-0318-x
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We use an extension of the static-exchange density functional theory (DFT) method, previously reported in [E. Pl,siat et al., Phys. Rev. A 2, 023409 (2012), E. Pl,siat, P. Decleva, F. Martin, Phys. Chem. Chem. Phys. 31, 10853 (2012)], to evaluate vibrationally resolved (total and angular) K-shell photoelectron cross sections of methane. The calculated cross sections are in very good agreement with the existing experimental measurements at low photoelectron energies. We show that, in contrast with the rich interference patterns previously observed in molecular frame C(1s) photoelectron angular distributions of methane at both low and high photoelectron energy, no interference effects are observed in the calculated beta parameters, even at high photon energies.
引用
收藏
页码:1157 / 1162
页数:6
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