By including magnetic fields in conceptual DFT, scientists have been able to use it to predict chemical behaviour under extreme conditions
A computational study has uncovered unusual patterns in the electronegativity and hardness of elements when under the influence of strong magnetic fields. The exotic behaviour of chemical systems in this type of environment has long been a topic of interest across chemistry and physics. Now, researchers in Belgium and the UK have extended a method termed conceptual density-functional theory (DFT) to explore them.