Calculation of the differential photoionization cross-section of PH3

被引:12
|
作者
Carravetta, V
Cacelli, I
机构
[1] CNR, Ist Chim Quantist & Energet Mol, I-56100 Pisa, Italy
[2] Scuola Normale Super Pisa, I-56100 Pisa, Italy
关键词
D O I
10.1016/S0301-0104(99)00035-X
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
Cross-sections, photoelectron angular distribution parameters and branching ratios for the ionization of the outer-valence 5a(1), 2e and inner-valence 4a(1) shells of phosphine have been calculated up to a photon energy of 90 eV. Ab-initio calculations have been performed, by the K-matrix technique and projection on basis sets of L-2 functions, in the random phase approximation for the three coupled ionization channels. The theoretical results, compared with the available experimental data and with recent semi-empirical calculations, show a quantitative agreement with the experiment. (C) 1999 Elsevier Science B.V. All rights reserved.
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页码:77 / 87
页数:11
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