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首页> 外文期刊>International Journal of Quantum Chemistry >Spherical confinement of coulombic systems inside an impenetrable box: H atom and the Hulthen potential
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Spherical confinement of coulombic systems inside an impenetrable box: H atom and the Hulthen potential

机译:不可渗透盒子内的库仑系统的球形约束:H原子和Hulthen势

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摘要

The generalized pseudospectral method is used to study spherical confinement in two simple Coulombic systems: (i) well celebrated and heavily studied H atom (ii) relatively less explored Hulthen potential. In both instances, arbitrary cavity size as well as low and higher states are considered. Apart from bound state eigenvalues, eigenfunctions, expectation values, quite accurate estimates of the critical cage radius for H atom for all the 55 states corresponding to n10, are also examined. Some of the latter are better than previously reported values. Degeneracy and energy ordering under the isotropic confinement situation are discussed as well. The method produces consistently high-quality results for both potentials for small as well as large cavity size. For the H atom, present results are comparable to best theoretical values, while for the latter, this work gives considerably better estimates than all existing work so far. (c) 2014 Wiley Periodicals, Inc.
机译:广义伪谱方法用于研究两个简单的库仑系统中的球形约束:(i)著名的H原子,并且研究得很多(ii)相对较少的Hulthen势。在这两种情况下,都考虑了任意的腔尺寸以及低态和高态。除了束缚态特征值,特征函数,期望值以外,还对与n10对应的所有55个状态的H原子的临界笼半径进行了相当准确的估计。后者有些要比以前报告的值要好。还讨论了各向同性约束情况下的简并和能量有序性。该方法对于小腔体和大腔体都具有一致的高质量结果。对于H原子,目前的结果可与最佳理论值相媲美,而对于后者,这项工作给出的估算值要比到目前为止的所有现有工作好得多。 (c)2014年威利期刊有限公司

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