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Rigorous energy bounds for two-electron systems

机译:两电子系统的严格能界

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Rigorous lower and upper bounds on the lowest three eigenvalues of the two-electron atomic Hamiltonian are obtained for the symmetry sectors 1S,3S,1P,3P and the sector 3Po with unnatural parity. The bounds result from three-dimensional projection operators and are given as explicit expressions that depend on the nuclear charge Z as parameter. They are designed for application within further analysis, and we exemplify this by demonstrating monotonicity properties of excitation energies.
机译:对于对称扇区1 S,3 S,1 P,3 P,获得了两个电子原子哈密顿量的最低三个特征值的严格上下限和3 Po 扇区具有不自然的奇偶校验。边界由三维投影算符得出,并以依赖于核电荷Z作为参数的明确表达式给出。它们是为在进一步分析中应用而设计的,我们通过演示激发能的单调性来举例说明。

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