航程(航空)
密度梯度
材料科学
浓度梯度
Atom(片上系统)
物理
统计物理学
经典力学
量子力学
化学
计算机科学
环境化学
嵌入式系统
复合材料
作者
John P. Perdew,Adrienn Ruzsinszky,Gábor I. Csonka,Oleg A. Vydrov,Gustavo E. Scuseria,Lucian A. Constantin,Xiaobo Zhou,Kieron Burke
标识
DOI:10.1103/physrevlett.100.136406
摘要
Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients eliminates this bias. We introduce a revised Perdew-Burke-Ernzerhof generalized gradient approximation that improves equilibrium properties of densely packed solids and their surfaces.
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