Shell-confined hydrogen atom.

Shell-confined hydrogen atom.
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DOI:
10.1063/1.1901584
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发表时间:
2005-05
期刊:
The Journal of chemical physics
影响因子:
--
通讯作者:
K. Sen
K. Sen
中科院分区:
其他
文献类型:
--
作者:
K. Sen

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电子能量和静态偶极极化率的计算报告为 ns 状态(n = 1-6)的氢原子,该氢原子被限制在两个不可穿透的同心球之间,其内半径和外半径放置在与自由氢 ns (n = 2-7)轨道相对应的径向节点位置处。讨论了由于壳限制而产生的有趣的新简并条件。当内球半径向对应于较高主量子数的自由原子的外节点移动时,氢原子预计会出现异常高极化率的壳限域态。
Calculations of electronic energy and static dipole polarizability are reported for the hydrogen atom in the ns states (n = 1-6) confined between two impenetrable concentric spheres of inner and outer radii placed at the locations of the radial nodes corresponding to the free hydrogen ns (n = 2-7) orbitals. Interesting new conditions of degeneracy arising due to the shell confinement are discussed. Shell-confined states of unusually high polarizability are predicted for hydrogen atom as the inner sphere radius is shifted towards the outer nodal points of the free atom corresponding to the higher principal quantum numbers.