This Materials Cloud jupyter app provides a convenient graphical user interface (GUI) around the tight binding (TB) mean field Hubbard (MFH) library found at https://github.com/eimrek/tb-mean-field-hubbard. The library performs TB MFH calculations on the conjugated π-networks of organic systems. Only carbon atoms are supported and each atom is modelled by a single pz orbital hosting a single electron.
The modelled Hamiltonian is the following:
where c†, c and n are respectively the creation, annihiliation and number operators, t is the hopping integral and U denotes the on-site Coulomb repulsion.