Ab initio calculations of hydroxyl impurities in CaF ₂

Chemistry

• Ab Initio Calculation 100%
• Hydroxyl 100%
• Valence Band 100%
• Density Functional Theory 66%
• Oxygen Atom 66%
• Hydrogen 33%
• Conduction Band 33%
• Electronic Band Structure 33%
• Hydrogen Atom 33%
• Density of State 33%
• Absorptivity 33%
• Fluorine Ion 33%
• Defect Level 33%

Material Science

• Density 100%
• Ab Initio Calculation 100%