Keyphrases
Density Functional Theory
100%
Rotation Invariance
100%
Exchange Parameters
100%
Theory U
100%
Coulomb Parameter
100%
Molecular Orbital
60%
Restricted Hartree-Fock
60%
Ab Initio Methods
40%
Self-interaction Error
40%
Quantum Mechanical
20%
Density Functional Calculations
20%
Exchange Interaction
20%
Hartree-Fock Theory
20%
Parametrized
20%
Iron Oxide
20%
Coulomb
20%
Localized States
20%
Exchange Integral
20%
Coulomb Integral
20%
Strongly Correlated Electron Systems
20%
Chromium Oxide
20%
Empirical Estimator
20%
Constrained Density Functional Theory
20%
Predictive Density
20%
Strongly Correlated Electron Materials
20%
Chemistry
Density Functional Theory
100%
Molecular Orbital
50%
Unrestricted Hartree-Fock Calculation
50%
Exchange Interaction
16%
Engineering
Molecular Orbital
100%
Good Agreement
33%
Electron System
33%
Localized State
33%
Physics
Density Functional Theory
100%
Density Functional Theory
20%
Strongly Correlated Electron Systems
20%
Earth and Planetary Sciences
Density Functional Theory
100%
Density Functional Theory
20%