In this article, we provide a pedagogical review of the theory topological quantum chemistry and crystalline insulators. We begin with an overview properties crystal symmetry groups in position momentum space. Next, introduce concept band representation, which quantifies topologically trivial structures. By combining representations constraints on connectivity bands space, show how nontrivial c...

The Ghent Quantum Chemistry Package (GQCP) is an open-source electronic structure software package that aims to provide intuitive and expressive framework for development. Its high-level interfaces (accessible through C++ Python) have been specifically designed correspond theoretical concepts, while retaining access lower-level intermediates allowing structural run-time modifications of quantum...