Liquid water ionization by fast electron impact: a multiple differential study for the 1B1 orbital

被引：9
作者：
de Sanctis, M. L. [1 ]
Politis, M-F [2 ]
Vuilleumier, R. [3 ]
Stia, C. R. [1 ]
Fojon, O. A. [1 ]
机构：
[1] Inst Fis Rosario CONICET UNR, RA-2000 Rosario, Santa Fe, Argentina
[2] Univ Evry Val dEssonne, CNRS, UMR 8587, Lab Anal & Modelisat Biol & Environm, F-91025 Evry, France
[3] UPMC, ENS, CNRS, Dept Chim,UMR 8640, F-75005 Paris, France
来源：
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 2012年 / 45卷 / 04期
关键词：
CROSS-SECTIONS; TRACK STRUCTURE; VAPOR; H2O;
D O I：
10.1088/0953-4075/45/4/045206
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
We study theoretically the single ionization of water molecules in a liquid phase by impact of fast electrons in a coplanar geometry. For the first time, the wavefunction for a single water molecule in the liquid phase is described in a realistic way by means of a Wannier orbital formalism. Multiple differential cross sections for the most external 1B(1) orbital are obtained through a first-order model within the framework of an independent electron approximation. Moreover, the relaxation of the target is not taken into account. We compare our results with previous theoretical and experimental ones for water in a gas phase. The main physical features of the reaction observed in measurements for vapour (such as binary and recoil peaks) are also observed in our theoretical predictions.
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页数：8
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