📄️ Molecular Hamiltonian generation
This tutorial is for demonstrating how to obtain the molecular orbital (MO) electron integrals ($h$ and $h{ijkl}$) as well as the molecular Hamiltonian ($H$).
📄️ Advanced guides on electron integral
Computing the electron integrals is a crucial part of quantum chemistry, especially for the generation of molecular Hamiltonians. In previous tutorials, we explained how to obtain electron integrals (eInts) as well as the molecular Hamiltonian. In this tutorial, we give more detailed introductions on objects that QURI Parts provides for computing eInts, so that you may customize your algorithms for efficient eInt computations.