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。The AM05 density functional applied to solids
Ann E. Mattsson et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
High-level correlated approach to the jellium surface energy, without uniform-gas input
Lucian A. Constantin et al.
PHYSICAL REVIEW LETTERS (2008)
Quantum Monte Carlo calculations of the surface energy of an electron gas
B. Wood et al.
PHYSICAL REVIEW B (2007)
Control of defect concentrations within a semiconductor through adsorption
Edmund G. Seebauer et al.
PHYSICAL REVIEW LETTERS (2006)
Theory of defect levels and the band gap problem in silicon
Peter A. Schultz
PHYSICAL REVIEW LETTERS (2006)
Nonequivalence of the generalized gradient approximations PBE and PW91
Ann E. Mattsson et al.
PHYSICAL REVIEW B (2006)
Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects
Enrique R. Batista et al.
PHYSICAL REVIEW B (2006)
First-principles calculation of intrinsic defect formation volumes in silicon
SA Centoni et al.
PHYSICAL REVIEW B (2005)
Functional designed to include surface effects in self-consistent density functional theory
R Armiento et al.
PHYSICAL REVIEW B (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)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
Electric field effects on surface dynamics: Si ad-dimer diffusion and rotation on Si(001)
TR Mattsson et al.
SURFACE SCIENCE (2003)
Calculating the vacancy formation energy in metals: Pt, Pd, and Mo
TR Mattsson et al.
PHYSICAL REVIEW B (2002)
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)
Vacancies in metals:: From first-principles calculations to experimental data
K Carling et al.
PHYSICAL REVIEW LETTERS (2000)
Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes
ZD Yan et al.
PHYSICAL REVIEW B (2000)