Variational studies of two- and three-dimensional D- centers in magnetic fields.
Variational studies of two- and three-dimensional D- centers in magnetic fields.
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DOI：
10.1103/physrevb.46.3966
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发表时间：
1992-08
期刊：
影响因子：
--
通讯作者：
Larsen;McCann
中科院分区：
文献类型：
--
作者：
Larsen;McCann
本文研究了在均匀外加磁场下二维和大块三维中心的低重态D中心，即带第二电子的氢给体D中心。准确的试函数是，同时，简单，物理透明，计算效率高。比较了各种候选函数。其中最好的产生基态的能量，在三维空间中，属于最近在所有测试场中“精确”蒙特卡罗计算所引用的统计不确定性
Low-lying singlet states of the D - center, a hydrogenic donor with a second electron attached, are studied for two-dimensional and bulk three-dimensional centers in uniform applied magnetic fields. Accurate trial functions which are, at the same time, simple, physically transparent, and computationally efficient are sought. Various candidate functions are compared. The best of these produce energies for the ground state which, in three dimensions, fall within the statistical uncertainties quoted for recent «exact» Monte Carlo calculations at all fields tested