Quantum-chemical simulation of impurity-induced trapping of a hole: [li]° centre in mgo

Engineering & Materials Science

• Crystals 100%
• Polarons 99%
• Impurities 97%
• Polarization 68%
• Excited states 42%
• Point defects 38%
• Ground state 37%
• Carrier concentration 35%
• Defects 34%
• Charge transfer 32%
• Atoms 26%

Chemical Compounds

• Polaron 83%
• Polarization 75%
• Molecular Cluster 65%
• Simulation 63%
• Ionic Crystal 48%
• Crystal Point Defect 43%
• Energy 31%
• Electron Density 30%
• Displacement 27%
• Excited State 26%
• Ground State 26%
• Electronic State 24%
• Charge Transfer 23%
• Electron Particle 18%

Physics & Astronomy

• trapping 77%
• impurities 66%
• polarons 50%
• polarization 40%
• simulation 38%
• crystals 36%
• ionic crystals 31%
• defects 27%
• point defects 23%
• charge transfer 21%
• eigenvalues 21%
• electronic structure 18%
• ground state 16%
• energy 14%
• electronics 13%
• atoms 12%
• excitation 12%
• electrons 10%