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Criterion for the Accuracy of Wave Functions of Asymmetric Atomic and Molecular Systems

机译:不对称原子和分子系统的波函​​数准确度的判据

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摘要

From the condition for invariance of the energy under rotations of the Jacobi coordinates, a relationship is obtained that relates the expected values of combinations of degrees of interparticle separations in quantum-mechanical systems. This relationship, which is satisfied for atoms and molecules with like particles identically, because of the permutational symmetry, is an extremely sensitive criterion for the accuracy of the wave functions of asymmetric systems, consisting of unlike particles and having no permutational symmetry. The application of this criterion is illustrated for the example of the asymmetric ~4Heμ~-e~- mesoatom.
机译:根据雅可比坐标旋转下能量不变的条件,获得了一种关系,该关系将量子力学系统中粒子间分离度的组合的期望值联系起来。由于排列对称性,对于具有相同粒子的原子和分子相同地满足的这种关系,对于不对称系统的波函​​数的精度是极其敏感的标准,该不对称系统由不同的粒子组成并且没有排列对称性。以非对称〜4Heμ--e--介观原子为例说明了该准则的应用。

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