电子交换
电子
物理
哈特里-福克法
统计物理学
原子物理学
量子力学
作者
Frank Herman,J. P. Van Dyke,I. B. Ortenburger
标识
DOI:10.1103/physrevlett.22.807
摘要
We have developed an improved exchange approximation for use in self-consistent atomic structure calculations and related problems. By adding an inhomogeneity correction to the Kohn-Sham-Gaspar exchange potential, we are able to obtain total energies for atoms that are consistently closer to the Hartree-Fock values than are those given by other recently proposed exchange potentials.
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