Computation of dielectric constants for condensed phases
物理
电介质
计算
统计物理学
作者
Denis J. Evans,Gary P. Morriss
出处
期刊:Physical Review A [American Physical Society] 日期:1986-02-01卷期号:33 (2): 1408-1410被引量:2
标识
DOI:10.1103/physreva.33.1408
摘要
We present a new method for calculating the dielectric constant of dense systems. The dielectric constant is calculated from the fluctuations in the electric field required to suppress variations in the sample polarization. In our algorithm the conventional roles played by field and polarization are reversed. This has the advantage of eliminating all reaction fields, but may only be useful for systems which do not have large dielectric constants.