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Showing posts with the label Ab initio MethodsShow All

Ab initio Methods

Linear methods in band theory

Abderrahmane Al jazairi 02:50

O Krogh Andersen Abstract: Two approximate methods for solving the band-structure problem in an efficient and physically transparent way are…

Continuum of many-particle states near the metal-insulator transition in the Hubbard model

13:02

Electronic structure of MnP

07:42

Single Band Motion of Conduction Electrons in a Uniform Magnetic Field

07:43

Categories

Ab initio Methods 1
Actinide compounds 1
Alloying qnd Doping 152
Anistropic Effect 1
Antiferromagnetic Properties 30
Atoms and Molecules 3
Binary compounds 10
Castep code 3
Ceramic Compounds 1
Chalcogenides 66
Charge-Transfer and Mott-Hubbard Insulators 15
chemical calculations 10
Chemical Properties 50
Chemistry 7
Collected Papers 1
Composition Effect 1
Correlated Systems 10
Correlation-Exchange Functionals 31
Correlation-Exchange Interactions 31
Coupling Effect 2
Crystal Chemistry 16
Crystal Structures 7
Crystallographic Structures 1
Cubic Structures 125
Cubic-Hexagonal Transition 8
Cubic-Tetragonal Transition 2
Defect Structures 3
Density Functional Theory 11
DFT+DMFT 9
DFT+EECE 1
DFT+U 85
Distortion Effect 19
DMFT Method 3
Elastic Properties 113
Electric and Magnetic Fields Effect 1
Electric Propertie 24
Electron-Phonon Coupling 2
Electronic Properties 305
Elements 24
Exchange Constants Calculation 6
Experimental works 122
Ferrimagnetic Properties 2
Ferroelectric materials 4
Fixed Spin Moment Calculations 1
FLEUR 1
Green's Function Method 1
GW Method 2
Half-Metallic componuds 15
Hartree-Fock Method 7
Hexagonal Structures 73
Hybrid Functionals 21
Hyperfine Fields 1
Insulators 1
Interfaced Code 1
Intermetallic Compounds 6
Interstitial Compounds 2
KKR Method 3
Lapw Method 2
LCAO Method 2
LMTO method 3
Magnetic Anisotropy 1
Magnetic interaction 22
Magnetic Orderings 34
Magnetic Properties 293
Magnetic Stability 4
Magnetic Structures 59
Magnetism Theories 2
Magneto-Structural Effects 4
Magnetoelastic Coupling 2
MAX Phases 4
mBJ method 35
mBJ+U Method 1
Mechanical Properties 58
Metals 2
Molecular Dynamics Method 3
Monoclinic structures 9
Monte Carlo Method 5
Non Bulk Structures 40
Non Collinear Magnetism 2
Non Stoichiometric Structures 2
Non-Stochiometric Composition 4
Optical Properties 90
Orthorhombic Structures 36
Oxides 16
P State Magnetism 2
Perovskite Materials 1
Phase Transitions 170
Phonon Properties 26
Pnictides 6
Polarization Properties 1
Polycrystalline Aggregates 3
Polymorphism 1
Pressure and Temperature Effect 135
Quaternary compounds 13
Rare-earth Metals and Compounds 24
Relativistic Effects 2
Rhombohedral Structures 3
Self-Interaction Correction 1
Siesta Code 1
Slater's Version of HF Theory 1
Spanish Articles 1
Spectral Properties 12
Spin Density Wave 1
Spin Reorientation 6
Spin-Orbit Coupling 20
Stability 5
Structural Distorsion 4
Structural Prediction 16
Structural Properties 216
Structural Stability 11
Superconducting Materials 15
Ternary Compounds 44
Tetragonal Structures 26
Theories 29
Theories and Models 17
Thermal Properties 28
Thermodynamic Properties 88
Thermoelectric Properties 16
Transition Metal Compounds 442
Transition metal Elements 19
Transport Properties 9
VASP 2
Wien2k Code 15

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