论文标题
改进的Lieb-Oxford绑定了间接和交换能量
Improved Lieb-Oxford bound on the indirect and exchange energies
论文作者
论文摘要
Lieb-oxford不平等现象仅根据其一颗粒子密度，对经典系统的库仑能量提供了一个下限。我们在这里证明了对这种不平等的最佳常数的新估计。数值评估提供了1.58的值，这是对先前已知值1.64的显着改善。最佳常数最近已显示大于1.44。在第二部分中，我们证明，当不平等限制到哈特里 - 库克州时，常数可以减少到1.25。这是交换项总是比完整的间接库仑能量低得多的证据。
The Lieb-Oxford inequality provides a lower bound on the Coulomb energy of a classical system of $N$ identical charges only in terms of their one-particle density. We prove here a new estimate on the best constant in this inequality. Numerical evaluation provides the value 1.58, which is a significant improvement to the previously known value 1.64. The best constant has recently been shown to be larger than 1.44. In a second part, we prove that the constant can be reduced to 1.25 when the inequality is restricted to Hartree-Fock states. This is the first proof that the exchange term is always much lower than the full indirect Coulomb energy.
