Journal Article 5 orbital ordering 3 DFT simulation 1 Jahn‐Teller deformation 1 Jahn‐Teller effect 1 K(Sc, Ti, Fe, Co)F 1 KScF 1 mehr ... Research Support, Non-U.S. Gov't 1 density functional calculation 1 electron density 1 electronic structure 1 excitons 1 ferromagnetic and anti‐ferromagnetic 1 grid representation of one-electron quantities 1 magnetic field effect 1 magnetic ordering 1 manganite 1 molecular orbital ordering 1 molecular visualization 1 multiferroics 1 octahedra rotation 1 orbital ordering patterns 1 perovskites 1 phase transition 1 photoluminescence 1 quantum chemical calculation 1 structural distortions 1 transmission electron microscopy 1 weniger ...