本征混合密度平方根和本征密度自旋矩阵平方根的薛定谔方程
Schrödinger equations for the square root density of an eigenmixture and % the square root of an eigendensity spin matrix
摘要:
本文将Levy,Perdew和Sahni(LPS)的一个“单本征态”定理推广到密度来自本征混合密度算子的情形。一般化是一个特别感兴趣的径向密度泛函理论(RDFT)的核,核哈密顿的旋转不变性的后果,当核基态(GS)有一个有限的自旋,RDFT使用本征混合密度算符简化GS能量的预测到一维,径向计算。我们还研究了控制自旋本征密度矩阵的薛定谔方程。
英文摘要:
We generalize a "one eigenstate" theorem of Levy, Perdew and Sahni (LPS) to the case of densities coming from eigenmixture density operators. The generalization is of a special interest for the radial density functional theory (RDFT) for nuclei, a consequence of the rotational invariance of the nuclear Hamiltonian; when nuclear ground states (GSs) have a finite spin, the RDFT uses eigenmixture density operators to simplify predictions of GS energies into one-dimensional, radial calculations. We also study Schrödinger equations governing spin eigendensity matrices.
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