相对论性均匀电子气的短程关联能
Short-range correlation energy of the relativistic homogeneous electron gas
摘要：
基于非对近似下的Dirac-Coulomb哈密顿量，构造了用于相对论距离分离密度泛函理论的互补短程关联相对论局域密度近似泛函.为此，我们采用相对论无规相近似方法，计算了电子-电子相互作用修正后的相对论均匀电子气的相关能，研究了高密度电子气的行为，并将计算结果拟合为参数化的表达式。所得到的泛函最终应是有用的强关联系统的电子结构计算含有重元素。
英文摘要：
We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair approximation. For this, we perform relativistic random-phase-approximation calculations of the correlation energy of the relativistic homogeneous electron gas with a modified electron-electron interaction, we study the high-density behavior, and fit the results to a parametrized expression. The obtained functional should eventually be useful for electronic-structure calculations of strongly correlated systems containing heavy elements.
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