New Investigation of the 1SeAutoionizing States of He and H

New Investigation of the 1SeAutoionizing States of He and H
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He和H 1Se自电离态的新研究

DOI:
10.1063/1.1727912
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发表时间:
1966
影响因子:
4.4
通讯作者:
J. Midtdal
J. Midtdal
中科院分区:
化学2区
文献类型:
--
作者:
E. Holøien;J. Midtdal

文献摘要

被引文献

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本文的研究将对满哈密顿算子的某些特殊上根的收敛性提供一些见解。在这方面,对He和H−都进行了详细的计算,使用尺度变化正交化程序,其基的不同子集可达54阶。在一定的范围内,通过尺度因子的连续变化,实现了能量矩阵的十个最低根的完整映射。研究清楚地证明了特定上根的稳定能力,整个扩展的基础,如果正交化是适当的实现。第二步解中的这些根可能与某些自电离态(准双激离散态)有关。通过优化这些根的尺度因子得到的特征值,与He+和H弹性散射ca中共振位置的特征值进行了比较。
The present investigation should provide some insight into the convergence properties of some particular upper roots of the full Hamiltonian. In this connection detailed calculations using the scaling‐variation orthogonalization procedure with different subsets of the basis up to order 54 have been carried through both for He and H−.Subsets including basic functions up to g—g are used, and a complete mapping of the ten lowest roots of the energy matrix by a continuous variation of the scale factor has been carried out within a definite range. The investigation clearly demonstrates the stabilizing ability of particular upper roots throughout the extension of the basis if the orthogonalization is properly achieved. These roots in the second‐step solution may be associated with certain autoionizing states (quasi doubly excited, discrete states). The eigenvalues, obtained by optimizing the scale factor for these roots, are compared with those obtained for resonance positions in He+ and H elastic‐scattering ca...