Nonlocal modeling has drawn more and more attention and becomes steadily more powerful in scientific computing. In this paper, we demonstrate the superiority of a first-principle nonlocal model -- Wigner function -- in treating singular potentials which are often used to model the interaction between point charges in quantum science. The nonlocal nature of the Wigner equation is fully exploited to convert the singular potential into the Wigner kernel with weak or even no singularity, and thus highly accurate numerical approximations are achievable, which are hardly designed when the singular potential is taken into account in the local Schr\"odinger equation. The Dirac delta function, the logarithmic, and the inverse power potentials are considered. Numerically converged Wigner functions under all these singular potentials are obtained with an operator splitting spectral method, and display many interesting quantum behaviors as well.
翻译:非本地建模在科学计算中吸引了越来越多的注意力,并变得越来越强大。在本文中,我们展示了第一原则的非本地模型 -- -- 威纳函数 -- -- 在处理常被用来模拟量子科学中点电荷相互作用的奇特潜力时的优越性。维纳方程式的非本地性质被充分利用,将奇特潜力转换成维纳内核,其微弱或甚至没有奇特性,因此极精确的数字近似是可以实现的,当本地Schr\"odinger方程式考虑到奇特潜力时,很难设计出高精确的数字近似值。Dirac 三角洲函数、对数函数和反动能量潜能被考虑在内。所有这些奇特潜力下的数值趋同维格函数都是通过操作者分裂光谱法获得的,并展示了许多有趣的量子行为。