Keyphrases
Density Functional Theory
76%
Time-dependent Density Functional Theory
59%
Stochastic Density Functional Theory
46%
Range-separated Hybrid
40%
System Size
34%
Statistical Errors
32%
Conductance
27%
Density Matrix
26%
Large Systems
26%
Electronic Structure
25%
Kohn-Sham Density Functional Theory
24%
Multiple Exciton Generation
23%
Nanocrystals
23%
Linear Scaling
22%
Density Functional
21%
Generalized Kohn-Sham
19%
Molecular Junctions
18%
Identity Resolution
18%
Coulomb Explosion
17%
Excited States
17%
Auxiliary Field
17%
Electron Density
16%
Monte Carlo
16%
Correlation Energy
15%
Silicon Nanocrystals
15%
Magnetic Field
15%
Magnetoresistance
15%
Green's Function
14%
Stochastic Approach
14%
Methanol
14%
Chemistry
Density Functional Theory
100%
Time-Dependent Density Functional Theory
43%
Ground State
37%
Electronic State
36%
electronics
32%
Excited State
26%
Hydrogen
25%
Nanocrystalline Material
23%
Conductance
22%
Quasiparticle
22%
Ionization Potential
20%
Silicon
19%
Tight Binding Model
18%
Electron Transport
15%
explosion
15%
Potential Energy Surface
14%
dimer
14%
Quantum Chemistry
13%
Kinetic Energy
13%
k·p perturbation theory
12%
Perturbation Theory
12%
formation
12%
Donor
12%
Density Functional Theory
12%
Electron Density
11%
Molecular Electronics
11%
First Principle
11%
Methanol
11%
Absorption Spectra
10%
Electron Correlation Energy
10%
Engineering
Energy Engineering
61%
Electronic State
31%
Energy Levels
28%
Ground State
27%
Density Matrix
24%
Size System
22%
Functionals
20%
Linear Response
20%
Statistical Error
20%
Green's Functions
16%
Eigenvalue
15%
Excited State
13%
Excitation Energy
12%
Carrier Concentration
12%
Discrete Fourier Transform
12%
Stochastic Approach
11%
Tunnel Construction
11%
Observables
10%
Structure Calculation
10%
Silicon Nanocrystal
10%
