结合Overhauser模型的距离分离法：在H $_2$分子解离曲线上的应用
Range separation combined with the Overhauser model: Application to the H$_2$ molecule along the dissociation curve
摘要：
将密度泛函理论与其他方法相结合，通过将电子-电子相互作用分离为短程和长程贡献（射程分离）来解决多电子问题，是一种成功的策略，近年来引起了越来越多的兴趣。在这里，我们专注于一个范围分离的方法，其中只有短程相关能量需要近似，我们的模型内的“扩展Overhauser方法”。我们认为H $_2$分子沿解离曲线的典型情况下，发现令人鼓舞的结果。利用非常精确的变分波函数，我们还研究了为了得到标准Kohn-Sham密度泛函理论的精确关联能，在Overhauser模型中出现的有效电子-电子相互作用应该是怎样的。
英文摘要：
The combination of density-functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution (range separation) is a successful strategy, which is raising more and more interest in recent years. We focus here on a range-separated method in which only the short-range correlation energy needs to be approximated, and we model it within the "extended Overhauser approach". We consider the paradigmatic case of the H$_2$ molecule along the dissociation curve, finding encouraging results. By means of very accurate variational wavefunctions, we also study how the effective electron-electron interaction appearing in the Overhauser model should be in order to yield the exact correlation energy for standard Kohn-Sham density functional theory.
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