Converting Kohn-Sham eigenenergies into electron binding energies.
作者： Julius Jellinek , Paulo H. Acioli
DOI: 10.1063/1.1560134
关键词:
摘要: A new accurate scheme for converting the Kohn–Sham eigenenergies into electron binding energies is formulated. The accuracy of illustrated in applications to ten atoms and three molecules.
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