Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories

Testing of two-dimensional local approximations in the current-spin and spin-density-functional theories
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当前自旋和自旋密度泛函理论中二维局部近似的测试

DOI：
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发表时间：
2003
期刊：
影响因子：
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通讯作者：
R. M. Nieminen
R. M. Nieminen
中科院分区：
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文献类型：
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作者：
H. Saarikoski;E. Räsänen;S. Siljamäki;A. Harju;M. J. Puska;R. M. Nieminen

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我们利用自旋密度泛函理论和电流自旋密度泛函理论研究了一个外磁场中的量子点模型。该理论用于自旋密度和涡度的局部近似。交换相关泛函的不同参数化的可靠性进行了测试，通过比较随后的能量与量子蒙特卡罗结果。讨论了涡度依赖性在交换关联泛函中的应用范围。
We study a model quantum dot system in an external magnetic field by using both spin-density-functional theory and current-spin density-functional theory. The theories are used with local approximations for the spin-density and vorticity. The reliabilities of different parametrizations for the exchange-correlation functionals are tested by comparing the ensuing energetics with quantum Monte Carlo results. The limit where the vorticity dependence should be used in the exchange-correlation functionals is discussed.