Keyphrases
Range-separated Hybrid
100%
Wannier
82%
Band Gap
43%
Many-body Perturbation Theory
36%
Optical Absorption Spectra
33%
Ionization Potential
27%
Optimal Tuning
22%
Fundamental Band
22%
Time-dependent Density Functional Theory
21%
Metal Oxide
17%
Halide Perovskites
17%
Hybrid Functional
17%
Polymorph
17%
Length-dependent
17%
Molecular Chain
17%
Crystalline Solids
17%
G0W0
17%
Electronic Structure Properties
17%
Optical Properties
17%
Halide Double Perovskites
17%
Van Der Waals Materials
17%
Layered Materials
17%
Density Functional Theory
17%
Prediction Accuracy
17%
Bethe-Salpeter Equation
15%
Mean Absolute Error
15%
Insulator
15%
Theory Calculation
12%
Hybrid Method
12%
Ansatz
12%
Copper(II) Oxide
11%
Solid State
11%
Absorption Spectra
10%
Optical Band Gap
9%
Semiconductors
9%
Functional Parameters
8%
Highly Accurate
8%
State System
8%
Banded Structure
8%
GW Method
7%
MgO-Al2O3
5%
First-principles
5%
Rutile
5%
Closed Shell
5%
Large Band Gap
5%
Maximum Absolute Errors
5%
Occupied State
5%
Narrow-gap Semiconductor
5%
Chemistry
Absorption Spectra
60%
Band Gap
57%
Many-Body Perturbation Theory
51%
Absorptivity
48%
Halide
35%
Ionization Potential
21%
Time-Dependent Density Functional Theory
21%
Electronic State
20%
Quasiparticle
17%
Metal Oxide
17%
Optical Property
17%
Layered Material
17%
Density Functional Theory
16%
Electronic Band Structure
12%
Copper(II) Oxide
11%
First Principle
11%
Valence Band
8%
Photoexcitation
8%
Ionic Crystal
8%
Monolayers
8%
electronics
8%
Electronic Excitation
8%
Phosphorus
8%
Molybdenum Disulfide
8%
Boron Nitride
8%
Optoelectronics
7%
Magnesium Oxide
5%
Titanium Dioxide
5%
Red
5%
Molecular Crystal
5%
Crystal Structure
5%
Sweet Orange
5%
yellow
5%
Engineering
Band Gap
71%
Absorptivity
35%
Functionals
29%
Ionization Potential
28%
Starting Point
26%
Mean Absolute Error
19%
Accurate Prediction
19%
Molecular Chain
17%
Electron Volt
17%
Hybrid Approach
17%
Eigenvalue
8%
Valence Band
8%
Monolayers
8%
Covalent
8%
Molybdenum Disulfide
8%
Band Structure
8%
Nitride
8%
State System
8%
Gap Semiconductor
5%
Narrowband
5%
Supercell
5%
Nanoscale
5%