Chemical bonds 2 Density functional theory 2 Electronic structure Absorption edges 1 Anions 1 Bonding patterns 1 Calculations 1 Chalcogens 1 Computation theory 1 Condensed phase 1 Condensed phasis 1 Crystal growth 1 Crystal structure 1 Crystals structures 1 Density of electronic state 1 Design Principles 1 Design for testability 1 Electronic structure and optical properties 1 Electronic.structure 1 Energy gap 1 Environment effects 1 Finite temperatures 1 First principles 1 Functional materials 1 Germanium compounds 1 LDA + U 1 Molecules 1 Neural Networks, Computer 1 Neural-networks 1 Non-covalent interaction 1