Keyphrases
Density Functional Theory
100%
First-principles
100%
Solid Hydrogen
100%
Optical Properties
50%
Pressure Dependence
50%
Band Gap
50%
Proton
50%
Phase Diagram
50%
Free Energy
50%
Dissociation
50%
Equilibrium Properties
50%
Prediction Method
50%
Quantum Effects
50%
Solid Phase
50%
Finite Temperature
50%
Hydrogen Properties
50%
Molecular Solids
50%
Thermal Effect
50%
Molecular Hydrogen
50%
Density Functional
50%
Reliability Prediction
50%
Nuclear Quantum Effects
50%
Limited Value
50%
Temperature Prediction
50%
Exchange-correlation
50%
Free Energy Difference
50%
Quasi-harmonic Approximation
50%
Zero-point Energy
50%
Drastic Change
50%
Free Energy Calculations
50%
Gibbs Free Energy
50%
Physics
First-Principles
100%
Density Functional Theory
100%
Free Energy
100%
Harmonics
33%
Pressure Dependence
33%
Optical Properties
33%
Finite-Temperature
33%
Phase Diagrams
33%
Gibbs Free Energy
33%
Zero Point Energy
33%
Chemistry
Hydrogen
100%
Density Functional Theory
100%
First Principle
100%
Gibbs Free Energy
100%
Optical Property
25%
Band Gap
25%
Phase Diagrams
25%
Finite-Temperature
25%
Zero Point Energy
25%
Material Science
Density
100%
Optical Property
33%