搜索结果: 1-1 共查到“化学 self-interaction free potentials”相关记录1条 . 查询时间(0.115 秒)
Constraining density functional approximations to yield self-interaction free potentials
Constraining density functional approximations self-interaction free potentials
2011/8/18
Abstract: Self-interactions (SIs) are a major problem in density functional approximations and the source of serious divergence from experimental results. Here, we propose to constrain the effective l...