GROUND-STATE OF THE FERMION ONE-COMPONENT PLASMA - MONTE-CARLO STUDY IN 2 AND 3 DIMENSIONS
GROUND-STATE OF THE FERMION ONE-COMPONENT PLASMA - MONTE-CARLO STUDY IN 2 AND 3 DIMENSIONS
复制标题
DOI：
10.1103/physrevb.18.3126
复制
发表时间：
1978-01-01
影响因子：
3.7
通讯作者：
CEPERLEY, D
中科院分区：
文献类型：
--
作者：
CEPERLEY, D
本文用费米子蒙特卡罗变分法计算了二维和三维均匀电子单组分等离子体的状态方程。用Monte Carlo方法计算的基态过剩能量是非常精确的，并且与金属密度范围内和极低密度维格纳晶体中的其他计算结果一致。研究了三个相：维格纳晶体、正常或非极化流体和极化流体。维格纳晶体具有最低的能量，在三维中rs> 67，在二维中rs> 33。完全极化的量子流体在三维中对于26<rs < 67是稳定的，在二维中对于13<rs < 33是稳定的，并且正常或未极化的流体在三维中对于更高的密度rs < 26和二维中rs < 13是稳定的。一个没有可调参数的赝势，来自随机相位近似，被发现给优秀的能量。本文的结果支持了早先关于电子气基态在中等密度下将是自旋极化的假设。
We have performed fermion Monte Carlo variational calculations to determine the equation of state of the uniform electron one-component plasma in two and three dimensions. The ground-state excess energies calculated by the Monte Carlo method are very precise and in agreement with those of other calculations in the metallic density range and in the very-low-density Wigner crystals. Three phases have been investigated: the Wigner crystal, the normal or unpolarized fluid, and the polarized fluid. The Wigner crystal has the lowest energy for r s> 67 in three dimensions and r s> 33 in two dimensions. The totally polarized quantum fluid is stable for 26< r s< 67 in three dimensions and for 13< r s< 33 in two dimensions, and the normal or unpolarized fluid is stable at higher densities r s< 26 in three dimensions and r s< 13 in two dimensions. A pseudopotential with no adjustable parameters, derived from the random-phase approximation, is found to give excellent energies. The present results lend support to earlier conjectures that the ground state of the electron gas will be spin polarized at intermediate densities.