Generalization of the atomic RPA method for diatomic molecules:: H2 photoionization cross-section calculation

被引：26

作者：

Semenov, SK ^{[1
]}

Cherepkov, NA ^{[1
]}

机构：

[1] State Univ Aerosp Instrumentat, St Petersburg 190000, Russia

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 291卷 / 3-4期

关键词：

D O I：

10.1016/S0009-2614(98)00573-9

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：

The well-known procedure of atomic photoionization cross-section calculations in the random-phase approximation is generalized here for diatomic molecules. As an orthonormal zero-order basis set, the Hartree-Fock wavefunctions of the discrete and continuous spectrum are used; they are calculated in prolate spheroidal coordinates. The photoionization cross-section of the H-2 molecule obtained by this method in the photon energy range from the ionization threshold up to 160 eV is in good agreement with experimental data. (C) 1998 Published by Elsevier Science B.V. All rights reserved.

引用

页码：375 / 380

页数：6

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