An embedded-molecular-cluster method for calculating the electronic structure of point defects in non-metallic crystals. ii. structural elements in the form of molecules

Engineering & Materials Science

• Coulomb interactions 14%
• Crystal lattices 14%
• Crystals 64%
• Eigenvalues and eigenfunctions 9%
• Exchange interactions 16%
• Green's function 10%
• Ions 8%
• Lattice vibrations 34%
• Mathematical operators 17%
• Molecules 63%
• Parameterization 9%
• Phonons 14%
• Point defects 100%
• Polarization 33%
• Schrodinger equation 16%

Physics & Astronomy

• crystal lattices 9%
• crystals 31%
• eigenvectors 8%
• electronic structure 48%
• Green's functions 7%
• matrices 5%
• molecular clusters 85%
• molecular ions 10%
• molecules 34%
• operators 19%
• parameterization 10%
• phonons 6%
• point defects 61%
• polarization 19%

Chemical Compounds

• Crystal Point Defect 83%
• Electronic State 47%
• Exchange Interaction 10%
• Lattice Dynamics 27%
• Molecular Cluster 12%
• Molecular Ion 9%
• Molecule 22%
• Phonon 10%
• Polarization 27%
• Response Function 13%
• Schrodinger Equation 17%
• Shape 6%
• Tight Binding Model 12%