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。A modified form of sharma's formula for sto löwdin alpha functions with recurrence relations for the coefficient matrix
Herbert W. Jones et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Improved grid-based algorithm for Bader charge allocation
Edward Sanville et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
First-principles prediction of phase-segregating alloy phase diagrams and a rapid design estimate of their transition temperatures
N. A. Zarkevich et al.
PHYSICAL REVIEW B (2007)
A fast and robust algorithm for Bader decomposition of charge density
Graeme Henkelman et al.
COMPUTATIONAL MATERIALS SCIENCE (2006)
Partitioning of solutes in multiphase Ti-Al alloys
R Benedek et al.
PHYSICAL REVIEW B (2005)
Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
CF Guerra et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Reliable first-principles alloy thermodynamics via truncated cluster expansions
NA Zarkevich et al.
PHYSICAL REVIEW LETTERS (2004)
First-principles study of binary bcc alloys using special quasirandom structures
C Jiang et al.
PHYSICAL REVIEW B (2004)
Competition between ferromagnetism and antiferromagnetism in FePt
G Brown et al.
PHYSICAL REVIEW B (2003)
Interatomic potentials for atomistic simulations of the Ti-Al system
RR Zope et al.
PHYSICAL REVIEW B (2003)
Thermochemistry of some binary alloys of noble metals (Cu, Ag, Au) and transition metals by high temperature direct synthesis calorimetry
SV Meschel et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2003)
Magnetochemical origin for Invar anomalies in iron-nickel alloys
V Crisan et al.
PHYSICAL REVIEW B (2002)
Prediction of the mixing enthalpy of alloys
MHF Sluiter et al.
EUROPHYSICS LETTERS (2002)
Crystal structure and stability of complex precipitate phases in Al-Cu-Mg-(Si) and Al-Zn-Mg alloys
C Wolverton
ACTA MATERIALIA (2001)
The standard enthalpies of formation of the compounds of early transition metals with late transition metals and with noble metals as determined by Kleppa and co-workers at the University of Chicago - A review
QT Guo et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2001)
Effect of the polytwinned microstructure parameters on magnetic domain structure and hysteresis properties of the CoPt-type alloys
NI Vlasova et al.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS (2000)
Monodisperse FePt nanoparticles and ferromagnetic FePt nanocrystal superlattices
SH Sun et al.
SCIENCE (2000)
Wetting behavior in the Co-Pt system
Y Le Bouar et al.
PHYSICAL REVIEW B (2000)
分享论文
