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Analytic structure of ground-state energies and wave functions for the inhomogeneous electron liquid in non-relativistic He-like atomic ions with nuclear charge Ze

机译:非相对论性He核原子Ze中非均质电子液体基态能量和波函数的解析结构

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摘要

The ground state of the He atom for fixed nucleus remains intractable so far as regards exact analytic solutions. However, some important results already exist pertaining to its ground-state wave function Ψ and corresponding electron density n(r). Here, we extend the existing studies by focussing attention on the non-relativistic series of He-like atomic ions with nuclear charge Z. We then find it instructive to start from the energy E(Z) of such a two-electron spin-compensated problem. This is known to have non-analytic behaviour at a critical Z, say Z _c, equal to 0.911028. A form of Darboux transformation going back at very least to Br?ndas and Goscinski [E. Br?ndas and O. Goscinski, Int. J. Quantum Chem. 6, 59 (1972)] is refined somewhat here, and compared with a more intuitive approach of Callan [E. Callan, Int. J. Quantum Chem. 6, 431 (1972)]. The important 1/Z expansion of E(Z) is also invoked. The electron density n(r) and the ground-state wave function Ψ are then treated in turn, in a related manner; especially their asymptotic behaviour far from the nucleus. Finally, two exact wave functions for analytically solvable two-Fermion models are shown to sum the infinite series proposed by Fock [V. Fock, Izv. Akad. Nauk SSSR, Ser. Fiz. 18, 161 (1954)].
机译:就精确的解析解而言,固定原子的He原子的基态仍然是棘手的。但是,关于其基波函数function和相应的电子密度n(r),已经存在一些重要的结果。在这里,我们将注意力集中在具有核电荷Z的非相对论系列He原子离子上,从而扩展了现有研究。然后发现从这样的双电子自旋补偿能量E(Z)开始具有启发性问题。已知这在等于0.911028的临界Z(例如Z _c)处具有非分析行为。 Darboux变换的一种形式至少可以追溯到Br?ndas和Goscinski [E. Br?ndas和O. Goscinski,国际J.量子化学。 6,59(1972)]在这里进行了一些改进,并与Callan [E.卡兰,国际J.量子化学。 6,431(1972)]。 E(Z)的重要的1 / Z扩展也被调用。然后以相关方式依次处理电子密度n(r)和基态波函数;;尤其是远离核的渐近行为。最后,显示了两个可解析的两费米恩模型的精确波动函数,以求和求和(由Fock [V.伊克斯·福克阿卡德Nauk SSSR,序列菲兹18,161(1954)]。

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