Keyphrases
Density Functional Theory
71%
Kohn-Sham
51%
Kohn-Sham Potential
43%
Kohn-Sham Density Functional Theory
42%
Ionization Potential
40%
Exchange-correlation
39%
Many-electron System
37%
Derivative Discontinuity
35%
Density Functional
32%
Total Energy
28%
Eigenvalues
25%
Fundamental Gap
25%
Average Atom Model
25%
Number of Electrons
24%
Asymptotic Behavior
24%
Piecewise Linearity
23%
Pauli Potential
22%
Self-interaction
22%
Local Spin Density Approximation
20%
Representable
20%
Warm Dense Matter
19%
First-principles
19%
Density Functional Calculations
18%
Correlation Approximation
18%
Local Hybrid Functionals
17%
Pure State
15%
Dissociation
15%
Schrödinger Equation
15%
Charge Transfer
14%
Exchange-correlation Functionals
13%
Mathematics
Density Functional
84%
Approximates
38%
Functionals
25%
Flux Density
23%
Asymptotics
22%
Spin Density
22%
Eigenvalue
22%
Orbital Energy
20%
Asymptotic Behavior
18%
Correlation Energy
12%
Factorization
12%
Binding Energy
12%
π electron system
11%
Periodic Table
10%
Computational Effort
10%
Exact Result
10%
Discrete Fourier Transform
10%
Pure State
10%
Localization Function
10%
Chemistry
Density Functional Theory
100%
Statistical Ensemble
71%
Ionization Potential
40%
Ground State
24%
Local-Density Approximation
18%
Exchange-Correlation Potential
15%
First Principle
15%
Generalized Gradient Approximation
14%
Binding Energy
12%
Conductance
10%
Frontier Orbital
10%
Kinetic Energy
10%
Configuration Interaction
10%
Excited State
10%
