Keyphrases
Density Functional Theory
77%
Time-dependent Density Functional Theory
60%
Stochastic Density Functional Theory
47%
Range-separated Hybrid
41%
System Size
34%
Statistical Errors
33%
Conductance
27%
Density Matrix
27%
Large Systems
25%
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
19%
Identity Resolution
18%
Excited States
18%
Auxiliary Field
17%
Electron Density
17%
Monte Carlo
16%
Correlation Energy
16%
Silicon Nanocrystals
15%
Magnetic Field
15%
Magnetoresistance
15%
Coulomb Explosion
14%
Green's Function
14%
Stochastic Approach
14%
Methanol
14%
Chemistry
Density Functional Theory
100%
Time-Dependent Density Functional Theory
44%
Ground State
39%
Electronic State
37%
electronics
33%
Excited State
26%
Hydrogen
26%
Nanocrystalline Material
23%
Conductance
22%
Quasiparticle
22%
Ionization Potential
20%
Silicon
20%
Tight Binding Model
18%
Electron Transport
16%
Potential Energy Surface
14%
dimer
14%
Quantum Chemistry
14%
Kinetic Energy
13%
k·p perturbation theory
13%
Perturbation Theory
13%
Donor
12%
explosion
12%
formation
11%
Electron Density
11%
Molecular Electronics
11%
First Principle
11%
Absorption Spectra
10%
Methanol
10%
Electron Correlation Energy
10%
Laser Pulse
10%
Engineering
Energy Engineering
62%
Electronic State
32%
Ground State
30%
Energy Levels
29%
Density Matrix
25%
Size System
23%
Functionals
20%
Linear Response
20%
Statistical Error
20%
Green's Functions
16%
Eigenvalue
15%
Excited State
13%
Excitation Energy
13%
Carrier Concentration
13%
Stochastic Approach
11%
Tunnel Construction
11%
Observables
10%
Structure Calculation
10%
Silicon Nanocrystal
10%