Keyphrases
Solid State
100%
Electronic Structure
100%
Finite Systems
100%
Density Functional
100%
Piecewise Linearity
100%
State Limit
100%
Density Functional Theory
50%
Computational Study
50%
Eigenstates
50%
Charge Transfer
50%
New Criteria
50%
Functional Assessment
50%
Size Dependence
50%
Semiconductor Nanocrystals
50%
Fundamental Gap
50%
Alkane Chain
50%
Predictive Ability
50%
Linear Segment
50%
Self-interaction
50%
Periodic Boundary Conditions
50%
Functional Construction
50%
Ground State Energy
50%
Ionization Energy
50%
Zero Curvature
50%
Energy Fundamentals
50%
Reference Cell
50%
Long-alkanes
50%
Periodic Case
50%
Background Charge
50%
Deviation from Linearity
50%
Mathematics
Approximates
100%
Density Functional
100%
Finite System
100%
Energy Levels
100%
Electronic State
100%
Integer
50%
Functionals
50%
State Energy
50%
Eigenstate
50%
Predictive Capability
50%
Periodic Case
50%
Boundary Condition
50%
Ground State
50%
Engineering
Functionals
100%
Limit State
100%
Electronic State
100%
Energy Levels
100%
Eigenstate
50%
Periodic Boundary
50%
Ground State Total Energy
50%
Chain Alkane
50%
Predictive Capability
50%
Reference Cell
50%
Boundary Condition
50%
Ionization Potential
50%
Physics
Energy Levels
100%
Periodic Boundary Condition
50%
Ground State
50%
Density Functional Theory
50%
Ionization Potential
50%
Material Science
Density
100%
Energy Levels
100%