近似波函数归一化和费米-库仑空穴求和规则的双射性
Bijectivity of the Normalization and Fermi-Coulomb Hole Sum Rules for Approximate Wave Functions
摘要：
我们证明了近似波函数的归一化约束和费米-库仑空穴电荷和规则在每个电子位置的双射性。这种双射性是令人惊讶的，因为归一化取决于在某个位置找到电子的概率，而费米-库仑空穴求和规则取决于两个电子由于泡利不相容原理和库仑排斥的相关性而保持分离的概率。我们通过例子进一步证明了这些求和规则的双射性。
英文摘要：
We prove the bijectivity of the constraints of normalization and of the Fermi-Coulomb hole charge sum rule at each electron position for approximate wave functions. This bijectivity is surprising in light of the fact that normalization depends upon the probability of finding an electron at some position, whereas the Fermi-Coulomb hole sum rule depends on the probability of two electrons staying apart because of correlations due to the Pauli exclusion principle and Coulomb repulsion. We further demonstrate the bijectivity of these sum rules by example.
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