Spherical Subspace Potential Functional Theory

Á. Nagy
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引用次数: 1

Abstract

The recently introduced version of the density functional theory that employs a set of spherically symmetric densities instead of the density has a ‘set-representability problem’. It is not known if a density exists for a given set of the spherically symmetric densities. This problem can be eliminated if potentials are applied instead of densities as basic variables. Now, the spherical subspace potential functional theory is established.
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球面子空间势泛函理论
最近引入的密度泛函理论版本采用了一组球对称密度而不是密度,这有一个“集合可表征性问题”。对于给定的一组球对称密度,是否存在密度是未知的。如果应用势而不是密度作为基本变量,这个问题就可以消除。建立了球面子空间势泛函理论。
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