摘要 : This paper's objective is to create a "consistent" mean-field based Kohn-Sham (KS) density functional theory (DFT) meaning the functional should not only provide good total energy properties, but also the corresponding KS eigenval... 展开
作者 | Rodney J. Bartlett Prakash Verma |
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作者单位 | |
期刊名称 | 《The Journal of Chemical Physics》 |
总页数 | 11 |
语种/中图分类号 | 英语 / O64 |
关键词 | objective potentials potential |
馆藏号 | N2008EPST0006632 |