A Simple Scheme for FInding Magnetic Aromatic Hydrocarbon Molecules
The smallest magnetic aromatic hydrocarbons reported to date consist of at least six fused- azulene. In order to determine the magnetic state of a given molecule computationally- demanding state-of-the-art methods, such as DMRG or DFT, are required. We introduce a simple computational procedure to screen large sets of molecules and identify likely can- didates worthy of more sophisticated (and costly) analysis. We consider smaller molecules that combine azulene and naphtalene and find two new magnetic molecules.