一个凸极小化问题的完全自洽优化有效势
Fully self-consistent optimized effective potentials from a convex minimization problem
摘要：
将优化有效势方法转化为一个凸极小化问题。这个公式不需要关于$v$ -可表示性和函数可微分性的假设。该制剂提供了一个自然的框架，完全自洽的计算，其中一个Kohn-Sham系统与非本地潜在的和一个额外的系统与本地潜在的联合优化。该公式也非常适合于扩展到其他风格的密度泛函理论，例如电流-密度泛函理论，其中有额外的潜力，除了普通的静电势。
英文摘要：
The optimized effective potential method is formulated as a convex minimization problem. This formulation does not require assumptions about $v$-representability nor functional differentiability. The formulation provides a natural framework for fully self-consistent calculations where both a Kohn--Sham system with a non-local potential and an additional system with a local potential are jointly optimized. The formulation is also well suited for extensions to other flavors of density-functional theory, e.g. current-density functional theory, where there are additional potentials besides the ordinary electrostatic potential.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
