Keyphrases
Thin Film Structure
100%
Electronic Structure
100%
Charge Density
100%
Numerical Basis Sets
100%
Linear Combination of Atomic Orbitals
100%
Local Density
66%
Density of States
66%
Atomic Charges
66%
Local Density of States
66%
Two Dimensional
33%
Three-dimensional (3D)
33%
Wave Function
33%
One-particle
33%
Matrix Elements
33%
Non-self
33%
Irreducible
33%
Atomic Configuration
33%
Adjustable Parameters
33%
Bulk System
33%
Coulomb Potential
33%
Self-consistent Calculation
33%
Integration Scheme
33%
Spherically Symmetric
33%
Tetrahedron
33%
Model Calculation
33%
Discrete Variational Method
33%
Total Density of States
33%
Valence Orbital
33%
Self-consistent Potential
33%
Bulk Solids
33%
Self-consistency
33%
Hamiltonian Matrix
33%
Accurate Solution
33%
Density Model
33%
Brillouin Zone
33%
Self-consistent Solution
33%
Kohn-Sham
33%
K-points
33%
Diophantine
33%
Five-layer
33%
Density Equation
33%
Atomic Potential
33%
Overlap Matrix
33%
Jellium Model
33%
Linear Energy
33%
Frozen Core
33%
Triangle Method
33%
Mathematics
Linear Combination
100%
Local Density
100%
Atomic Orbital
100%
Energy Levels
100%
Electronic State
100%
Charge Density
75%
Superposition
75%
Variational Method
25%
Adjustable Parameter
25%
wavefunction ψ
25%
Irreducibles
25%
Tetrahedron
25%
Triangle
25%
Electron Atom
25%
Matrix Element
25%
Coulomb Potential
25%
Brillouin Zone
25%
Engineering
Superposition
100%
Thin Films
100%
Charge Density
100%
Linear Combination
100%
Electronic State
100%
Energy Levels
100%
Two Dimensional
33%
Plane Surface
33%
Accurate Solution
33%
Layer Plane
33%
Solid Bulk
33%
Energy Engineering
33%
Matrix Element
33%
Consistent Calculation
33%
Brillouin Zone
33%
Chemistry
Electronic State
100%
Density of State
100%
LCAO Calculation
100%
Charge Density
60%
Volume
60%
Variational Method
20%
Coulomb Potential
20%
Transition Metal
20%
Wave Function
20%
Brillouin Zone
20%
Physics
Density of States
100%
Thin Films
100%
Energy Levels
100%
Volume
60%
Transition Metal
20%
Wave Function
20%
Brillouin Zone
20%
Coulomb Potential
20%
Material Science
Density
100%
Thin Films
100%
Energy Levels
100%
Surface (Surface Science)
20%
Transition Metal
10%
Film
10%