密度泛函理论中的势标度
Potential Scaling in Density Functional Theory
摘要：
密度标度在密度泛函理论中有着丰富的历史，它为构造未知的交换相关泛函提供了更精确的近似值。我们定义了一个共轭势标度为每个密度标度。这提供了各种重要的密度泛函上的精确关系，特别是，相关的泛函上的不同潜力的精确密度评估。我们说明这些条件的两个和四个电子的离子系列。
英文摘要：
Density scaling has a rich history in density functional theory, providing exact conditions for use in the construction of ever more accurate approximations to the unknown exchange-correlation functional. We define a conjugate potential scaling for each density scaling. This provides exact relations on various important density functionals, in particular, relating functionals evaluated on exact densities of different potentials. We illustrate these conditions on the two- and four-electron ion series.
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