Keyphrases
Fixed-node Diffusion Monte Carlo
100%
Zinc Oxide
100%
Nitrogen Defects
100%
Supercells
80%
Diffusion Monte Carlo
40%
Deep Acceptor
40%
Charge Transition Levels
40%
Compressibility
20%
Formation Energy
20%
Lower End
20%
Adjustable Parameters
20%
Finite-size Correction
20%
Direct Solution
20%
Finite-size Effects
20%
Electron-electron Interaction
20%
Valence Band Maximum
20%
Charged Defects
20%
Many-body Approaches
20%
Density Functional
20%
Functional Outcome
20%
Many-body Theory
20%
Defect Image
20%
Hybrid Functional
20%
Energy Transition
20%
Hybrid Density Functional Theory
20%
Image Interaction
20%
Wide Band Gap Semiconductors
20%
Hybrid Density Functional
20%
Substitutional Nitrogen
20%
Local Compressibility
20%
Engineering
Defects
100%
Nodes
100%
Supercell
80%
Compressibility
40%
Illustrates
20%
Good Agreement
20%
Energy Gap
20%
Experimental Measurement
20%
Valence Band
20%
Size Effect
20%
Defect Image
20%
Formation Energy
20%
Functionals
20%
Gap Semiconductor
20%
Chemistry
Diffusion Monte Carlo
100%
Zinc Oxide
100%
Monte Carlo Method
40%
Compressibility
40%
Band Gap
20%
Density Functional Theory
20%
Crystal Point Defect
20%
Valence Band
20%
Size Effect
20%
Material Science
Density
100%
Zinc Oxide
100%
Compressibility
66%
Point Defect
33%
Wide Band Gap Semiconductor
33%