相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Calculation of the lattice constant of solids with semilocal functionals
Philipp Haas et al.
PHYSICAL REVIEW B (2009)
The AM05 density functional applied to solids
Ann E. Mattsson et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems
M. Ropo et al.
PHYSICAL REVIEW B (2008)
High-level correlated approach to the jellium surface energy, without uniform-gas input
Lucian A. Constantin et al.
PHYSICAL REVIEW LETTERS (2008)
Functional designed to include surface effects in self-consistent density functional theory
R Armiento et al.
PHYSICAL REVIEW B (2005)
The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
J Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Designing meaningful density functional theory calculations in materials science - a primer
AE Mattsson et al.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING (2005)
Carbon dissolution and diffusion in ferrite and austenite from first principles
DE Jiang et al.
PHYSICAL REVIEW B (2003)
Subsystem functionals in density-functional theory: Investigating the exchange energy per particle
R Armiento et al.
PHYSICAL REVIEW B (2002)
An energy functional for surfaces
AE Mattsson et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Jellium surface energy beyond the local-density approximation: Self-consistent-field calculations
JM Pitarke et al.
PHYSICAL REVIEW B (2001)
Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes
ZD Yan et al.
PHYSICAL REVIEW B (2000)
分享论文
