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Citing Papers
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1985
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Pressure dependence of the elastic moduli in aluminum-rich Al-Li compounds
1993
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
1986 Standout
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1989
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2001
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1993
From ultrasoft pseudopotentials to the projector augmented-wave method
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Electronic Structure of 1 to 2 nm Diameter Silicon Core/Shell Nanocrystals: Surface Chemistry, Optical Spectra, Charge Transfer, and Doping
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1982
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1988
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New approach for solving the density-functional self-consistent-field problem
1982
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Design and control of gas diffusion process in a nanoporous soft crystal
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Electron-phonon interactions and related physical properties of metals from linear-response theory
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Nonlocal density approximation to exchange and correlation: Ground state properties of solid copper and vanadium
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In situ x-ray diffraction study of crystal structure of Pd during hydrogen isotope loading by solid-state electrolysis at moderate temperatures 250−300 °C
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Effect of Langreth-Mehl gradient correction on transition-metal band structures: Copper and vanadium
1983
An all-electron numerical method for solving the local density functional for polyatomic molecules
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Mg-Doped CuFeO2 Photocathodes for Photoelectrochemical Reduction of Carbon Dioxide
2013
The ab initio calculation of defect energetics in aluminium
1991
Perovskites in catalysis and electrocatalysis
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Temperature dependences of the electron–phonon coupling, electron heat capacity and thermal conductivity in Ni under femtosecond laser irradiation
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Density-Functional Treatment of an Exactly Solvable Semiconductor Model
1986
Formation of a One-Dimensional Array of Oxygen in a Microporous Metal-Organic Solid
2002 StandoutScienceNobel
Partially Oxidized Tantalum Carbonitrides as a New Nonplatinum Cathode for PEFC–1–
2008
Progress in non-precious metal oxide-based cathode for polymer electrolyte fuel cells
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Works of Bern Klein being referenced
Calculations of the superconducting properties of 32 metals withZ ≤ 49
1977
Self-consistent augmented-plane-wave electronic-structure calculations for theA 15 V 3 X Nb 3 X X = A l , G a , S i , G e , a n d S n
1978
First-principles electronic structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. II. Optical properties
1981
Valence-band spectra and electronic structure ofCuFeO 2
1997
Extension of the muffin-tin Green's-function theory of defects: Application to defects in aluminum
1984
Band structure and superconductivity ofPd D x Pd H x
1978
Mill leaching: a viable substitute for mercury amalgamation in the artisanal gold mining sector?
2009
First principles investigation on the validity of the peierls mechanism for the dimerization energy of trans-polyacetylene
1987
First-principles electronic structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. I. Self-consistent energy bands, charge densities, and effective masses
1981
Ground state oftrans-polyacetylene and the Peierls mechanism
1989
Interlayer Magnetic Coupling in Magnetic/Kondo Lattice Multilayered Structures
1995
Inverse Isotope Effect and thex Pd H x Pd D x
1977
CubicH 3 S
2015
Pseudo-atom calculation of energetics in metals
1989
Effect of self-consistency and exchange on the electronic structure of the transition metals, V, Nb, and Ta
1977
Electronic properties of transition-metal nitrides: The group-V and group-VI nitrides VN, NbN, TaN, CrN, MoN, and WN
1985
All-electron first-principles supercell total-energy calculation of the vacancy formation energy in aluminium
1991
Structural properties of ordered high-melting-temperature intermetallic alloys from first-principles total-energy calculations
1990
Superconductivity: Nitride offers 30K transition?
1984 Nature