布里渊区
采样(信号处理)
简单(哲学)
能量(信号处理)
统计物理学
物理
计算物理学
凝聚态物理
量子力学
光学
哲学
认识论
探测器
作者
M. Methfessel,A. T. Paxton
出处
期刊:Physical review
日期:1989-08-15
卷期号:40 (6): 3616-3621
被引量:6415
标识
DOI:10.1103/physrevb.40.3616
摘要
We present a sampling method for Brillouin-zone integration in metals which converges exponentially with the number of sampling points, without the loss of precision of normal broadening techniques. The scheme is based on smooth approximants to the \ensuremath{\delta} and step functions which are constructed to give the exact result when integrating polynomials of a prescribed degree. In applications to the simple-cubic tight-binding band as well as to band structures of simple and transition metals, we demonstrate significant improvement over existing methods. The method promises general applicability in the fields of total-energy calculations and many-body physics.
科研通智能强力驱动
Strongly Powered by AbleSci AI