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Completeness of the exact muffin-tin orbitals: Application to hydrogenated alloys

https://doi.org/10.1103/physrevb.81.045122
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Molecular and solid-state tests of density functional approximations: LSD, GGAs, and meta-GGAs
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From ASA Towards the Full Potential
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A Full-Potential LMTO Method Based on Smooth Hankel Functions
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Full-Potential LMTO Total Energy and Force Calculations
inferredcites →https://doi.org/10.1007/3540180982_1openalex-snapshot
Linearized band structure methods
inferredcites →https://doi.org/10.1007/978-3-642-81844-8openalex-snapshot
The LMTO Method: Muffin-Tin Orbitals and Electronic Structure
inferredcites →https://doi.org/10.1016/0031-8914(47)90013-xopenalex-snapshot
On the calculation of the energy of a Bloch wave in a metal
inferredcites →https://doi.org/10.1016/0927-0256(96)00008-0openalex-snapshot
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
inferredcites →https://doi.org/10.1016/c2013-0-03017-4openalex-snapshot
Calculated Electronic Properties of Metals
inferredcites →https://doi.org/10.1016/j.commatsci.2005.04.001openalex-snapshot
Total energy calculations for systems with magnetic and chemical disorder
inferredcites →https://doi.org/10.1016/j.commatsci.2007.03.013openalex-snapshot
Modelling mechanical properties for non-hardenable aluminium alloys
inferredcites →https://doi.org/10.1016/j.jssc.2009.08.027openalex-snapshot
A new material for hydrogen storage; ScAl0.8Mg0.2
inferredcites →https://doi.org/10.1016/s0022-3115(03)00207-1openalex-snapshot
Ab initio formation energies of Fe–Cr alloys
inferredcites →https://doi.org/10.1016/s0167-2738(02)00403-4openalex-snapshot
Phase stability of Li(Mn100−xCox)O2 oxides: an ab initio study
inferredcites →https://doi.org/10.1016/s0925-8388(03)00272-xopenalex-snapshot
The thermal radiation processes in the Sc–H system
inferredcites →https://doi.org/10.1016/s0927-0256(99)00098-1openalex-snapshot
Application of the exact muffin-tin orbitals theory: the spherical cell approximation
inferredcites →https://doi.org/10.1029/2001jb000686openalex-snapshot
High‐pressure structure of ScAlO3 perovskite
inferredcites →https://doi.org/10.1038/nature01422openalex-snapshot
Iron–silica interaction at extreme conditions and the electrically conducting layer at the base of Earth's mantle
inferredcites →https://doi.org/10.1038/nmat790openalex-snapshot
Stainless steel optimization from quantum mechanical calculations
inferredcites →https://doi.org/10.1063/1.475718openalex-snapshot
Theoretical calculation of hydrogen molecule in silicon
inferredcites →https://doi.org/10.1103/physrev.136.b864openalex-snapshot
Inhomogeneous Electron Gas
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physrev.94.1111openalex-snapshot
Solution of the Schrödinger Equation in Periodic Lattices with an Application to Metallic Lithium
inferredcites →https://doi.org/10.1103/physrevb.31.1909openalex-snapshot
Crystal structure from one-electron theory
inferredcites →https://doi.org/10.1103/physrevb.37.790openalex-snapshot
Calculated thermal properties of metals
inferredcites →https://doi.org/10.1103/physrevb.45.13244openalex-snapshot
Accurate and simple analytic representation of the electron-gas correlation energy
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-snapshot
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.49.11288openalex-snapshot
Surface energy and work function of the light actinides
inferredcites →https://doi.org/10.1103/physrevb.49.14251openalex-snapshot
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
inferredcites →https://doi.org/10.1103/physrevb.49.16694openalex-snapshot
Full charge-density calculation of the surface energy of metals
inferredcites →https://doi.org/10.1103/physrevb.49.2721openalex-snapshot
Self-consistent localized KKR scheme for surfaces and interfaces
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.54.16487openalex-snapshot
Electron-phonon interactions and related physical properties of metals from linear-response theory
inferredcites →https://doi.org/10.1103/physrevb.55.13521openalex-snapshot
Full charge-density scheme with a kinetic-energy correction: Application to ground-state properties of the 4d metals
inferredcites →https://doi.org/10.1103/physrevb.60.5202openalex-snapshot
Full-potential KKR calculations for metals and semiconductors
inferredcites →https://doi.org/10.1103/physrevb.64.014107openalex-snapshot
Total-energy method based on the exact muffin-tin orbitals theory
inferredcites →https://doi.org/10.1103/physrevb.65.193107openalex-snapshot
Low-temperature crystal structure of CaSiO3 perovskite: Anab initiototal energy study
inferredcites →https://doi.org/10.1103/physrevb.66.064210openalex-snapshot
Elastic anomalies in Ag-Zn alloys
inferredcites →https://doi.org/10.1103/physrevb.66.179902openalex-snapshot
Erratum: Elastic anomalies in Ag-Zn alloys [Phys. Rev. B66, 064210 (2002)]
inferredcites →https://doi.org/10.1103/physrevb.70.052102openalex-snapshot
Anomalous behavior of lattice parameters and elastic constants in hcp Ag−Zn alloys
inferredcites →https://doi.org/10.1103/physrevb.71.014201openalex-snapshot
Ab initiocalculation of the elastic properties of Al1−xLix (x⩽0.20) random alloys
inferredcites →https://doi.org/10.1103/physrevb.73.104203openalex-snapshot
Thermoelastic properties of random alloys from first-principles theory
inferredcites →https://doi.org/10.1103/physrevb.75.115117openalex-snapshot
Energy dependence of exact muffin-tin-orbital structure constants
inferredcites →https://doi.org/10.1103/physrevb.77.195445openalex-snapshot
Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems
inferredcites →https://doi.org/10.1103/physrevlett.100.136406openalex-snapshot
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
inferredcites →https://doi.org/10.1103/physrevlett.45.566openalex-snapshot
Ground State of the Electron Gas by a Stochastic Method
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-snapshot
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1103/physrevlett.87.156401openalex-snapshot
Anisotropic Lattice Distortions in Random Alloys from First-Principles Theory
inferredcites →https://doi.org/10.1103/physrevlett.88.066103openalex-snapshot
First-Principles Surface Phase Diagram for Hydrogen on GaN Surfaces
inferredcites →https://doi.org/10.1103/physrevlett.88.155501openalex-snapshot
Elastic Property Maps of Austenitic Stainless Steels
inferredcites →https://doi.org/10.1103/physrevlett.95.245502openalex-snapshot
Beating the Miscibility Barrier between Iron Group Elements and Magnesium by High-Pressure Alloying
inferredcites →https://doi.org/10.1103/physrevlett.96.117210openalex-snapshot
Evidence of Large Magnetostructural Effects in Austenitic Stainless Steels
inferredcites →https://doi.org/10.1107/s010876810100893xopenalex-snapshot
Parametrization of perovskite structures: an ab initio study
inferredcites →https://doi.org/10.12693/aphyspola.115.64openalex-snapshot
The Overlapping Muffin-Tin Approximation
inferredcites →https://doi.org/10.1525/9780520911482openalex-snapshot
Phase Diagrams of the Elements

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4646609openalex-extracted
Theoretical Study on the Competitive Mechanism of Alloying Elements in L12-(Ni X 1cr X 2co X 3)3al Precipitates
inferred← citeshttps://doi.org/10.1016/j.apsusc.2017.08.185openalex-snapshot
Electronic structure and relative stability of the coherent and semi-coherent HfO2/III-V interfaces
inferred← citeshttps://doi.org/10.1016/j.commatsci.2011.04.040openalex-snapshot
Influence of magnesium on hydrogenated ScAl1−xMgx alloys: A theoretical study
inferred← citeshttps://doi.org/10.1016/j.mtcomm.2022.103655openalex-snapshot
High-throughput prediction of intrinsic properties of L12-(Ni1,Cr2,Co3)3(Al1,Ti2) precipitates
inferred← citeshttps://doi.org/10.1063/1.3603024openalex-snapshot
The Bain path of paramagnetic Fe-Cr based alloys
inferred← citeshttps://doi.org/10.1080/14786435.2018.1429690openalex-snapshot
First-principles study of the structural and elastic properties of AuxV1–xand AuxNb1–xalloys
inferred← citeshttps://doi.org/10.1088/0953-8984/27/7/075401openalex-snapshot
Ab initio study of AlxMoNbTiV high-entropy alloys
inferred← citeshttps://doi.org/10.1103/physrevb.103.035118openalex-snapshot
Electron localization function implementation in the exact muffin-tin orbitals method
inferred← citeshttps://doi.org/10.1103/physrevb.82.085103openalex-snapshot
Ab initiostudy of structural and magnetic properties of Si-doped Fe2P
inferred← citeshttps://doi.org/10.3390/coatings14050536openalex-snapshot
Theoretical Study of the Competition Mechanism of Alloying Elements in L12-(Nix1Crx2Cox3)3Al Precipitates
inferred← citeshttps://doi.org/10.3390/coatings14050639openalex-snapshot
RETRACTED: Competitive Mechanism of Alloying Elements on the Physical Properties of Al10Ti15Nix1Crx2Cox3 Alloys through Single-Element and Multi-Element Analysis Methods
inferred← citeshttps://doi.org/10.3390/solids6010002openalex-snapshot
Impact of Vanadium and Zirconium Contents on Properties of Novel Lightweight Ti3ZryNbVx Refractory High-Entropy Alloys
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