Keyphrases
SnO2
100%
Electronic Structure
59%
Molecular Dynamics Simulation
53%
(110) Surface
49%
Path Integral Monte Carlo
47%
Density Functional Theory
45%
Monte Carlo Method
44%
Adsorbate
43%
Finite Temperature
43%
Semiconductors
36%
Pseudopotential
34%
Clustering Methods
32%
Auger Electron Spectroscopy
32%
Wavelet Basis
32%
Interpolating Wavelets
32%
Tin Dioxide
31%
Electronic Structure Calculations
29%
Oxygen Vacancy
27%
Non-adiabatic
25%
Polarizability
23%
Surface Relaxation
23%
Excited States
23%
Hyperpolarizability
23%
Electron Transfer
23%
Temperature Effect
22%
Schottky Barrier
21%
Quantum Statistics
21%
Quantum Dynamics
21%
P-type
20%
Matrix Elements
20%
Temperature Distribution
20%
Electron-hole Excitation
20%
Coulomb Singularity
20%
Tight-binding Model
20%
Local Density Approximation
20%
Atomic Orbitals
19%
Auger Spectra
19%
First-principles Calculations
19%
Double Bond
19%
Wurtzite
18%
Nonlinear Optical Properties
18%
Phenyl
18%
Dynamic Properties
18%
Electron-hole Pair
18%
Finite Clusters
18%
Quantum Monte Carlo Method
18%
Three-dimensional (3D)
18%
Transfer Characteristics
18%
First-principles
18%
Quantum Monte Carlo
17%
Chemistry
Electronic State
66%
Polarizability
57%
Path Integral
56%
electronics
51%
Monte Carlo Method
45%
Density Functional Theory
38%
Finite-Temperature
34%
Molecular Dynamics
29%
Porphyrin
28%
Auger Electron Spectrum
24%
Oxygen Vacancy
24%
First Principle
24%
Electron-Hole Pair
22%
Relaxation
21%
Local-Density Approximation
21%
Density of State
20%
Photoelectron
20%
Tin Atom
20%
Electron Transport
20%
Hydrogen
19%
Density Functional Theory
18%
Adsorbate Vibration
18%
Chemisorption
18%
Nonlinear Optical Property
18%
Quantum Monte Carlo Methods
18%
formation
17%
Ground State
17%
Surface Relaxation
16%
Tin Dioxide
16%
Lineshape
16%
Meso-Substituted Porphyrin
16%
Adatoms
16%
Kinetic Energy
16%
Absorptivity
14%
Liquid Crystal
13%
Conduction Band
13%
Energetics
12%
Pseudopotential
12%
Band Gap
12%
Hyperpolarizability
12%
Phospholipid
12%
Tight Binding Model
12%
Phthalocyanine
12%
Lowest Unoccupied Molecular Orbital
11%
Linewidth
11%
Multipole
11%
NMR Spectroscopy
10%
Quantum Dynamics
10%
Carbon Monoxide
10%
Wave Function
10%
Engineering
Energy Levels
43%
Electronic State
43%
Adsorbate
27%
Temperature Distribution
24%
One Dimensional
24%
Structure Calculation
20%
Lowest Unoccupied Molecular Orbital
20%
Bridging
20%
Excited State
20%
Harmonics
17%
Chemical Vapor Deposition
16%
Singularities
16%
Experimental Result
16%
Polarizability
16%
Ground State
16%
Tensor Product
16%
Hole Pair
16%
Quantum Dot
16%
Matrix Element
16%
Theoretical Study
16%
Discrete Fourier Transform
16%
Band Gap
15%
Electron System
14%
Laser Power
13%
Thermal Effect
12%
Laser Processing
12%
Proof-of-Concept
12%
Eigenvalue
12%
Deslauriers
12%
Time Domain
12%
Limiting Case
12%
Local Density Approximation
12%
Melting Point
12%
Liquid Crystal
12%
Response Time
10%
Oxygen Atom
10%
Nonlinearity
10%
Conduction Band
10%
Oxygen Vacancy
10%
Argon Ion Laser
10%
Hydrogen Molecule
10%
Monte Carlo Approach
9%
Computer Simulation
8%
Density Matrix
8%
Eigenvector
8%
Anisotropic Behavior
8%
Structure Surface
8%
Gauge Factor
8%
Cross Section
8%
Tetrahedral Amorphous Carbon
8%
