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Wavefunction methods in electronic-structure theory of solids [Review]

机译:固体电子结构理论中的波函数方法[综述]

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The electronic-structure theory of solids is presently dominated by density-functional methods which avoid calculations of the many-body wavefunction, and instead compute directly properties of the ground state. We argue that methods which determine the many-electron wavefunctions should receive particular attention in the future. A survey is given of our present knowledge of how to calculate these wavefunctions for a solid. The accuracy we envisage compares with the one obtainable for small molecules when applying quantum-chemical methods. [References: 123]
机译:固体的电子结构理论目前被密度泛函方法所支配,这种方法避免了多体波函数的计算,而是直接计算基态的性质。我们认为,确定多电子波函数的方法在将来应受到特别关注。我们对如何计算这些波函数的现有知识进行了调查。我们设想的精度与采用量子化学方法时小分子可获得的精度相比。 [参考:123]

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