Chemistry
Charge Density
50%
Density Functional Theory
50%
Density of State
50%
Energetics
100%
First Principle
100%
Generalized Gradient Approximation
50%
Hydrogen Atom
100%
Low Energy Electron Diffraction
50%
Periodic Boundary Condition
50%
Superlattice
50%
Transition State
50%
Work Function
100%
Keyphrases
2H-phase
11%
Adsorption
100%
Adsorption Structure
11%
All-electron
11%
Atom Adsorption
11%
Atom Diffusion
11%
Bridge Site
11%
Charge Density Difference
11%
Density of States
11%
Diffusion Path
11%
Electron Correlation
11%
Electron Exchange
11%
Fe Atoms
11%
Fe(1 1 0)
100%
First-principles
100%
Generalized Gradient Approximation
11%
H Atoms
11%
H Diffusion
11%
H-surfaces
11%
Hydrogen Atom
100%
Kohn-Sham Equation
11%
LEED®
11%
Low Temperature
11%
Periodic Boundary Conditions
11%
Projector Augmented Wave Method
11%
Site Preference
11%
Spin-polarized Density Functional Theory
11%
Surface Height
11%
Transition State
11%
Work Function
11%
Work Function Change
11%
Zigzag
11%
Material Science
Density
100%
Superlattice
33%