Quick Start Guide

An AutoHF calculation typically consists of two steps.

  1. Construct an autohf.AutoHFHamiltonian from a set of onebody and interaction terms.

  2. Find a Hartree-Fock solution by running autohf.solve_hf().

The User Examples contain specific examples for how to do this for a variety of models.

The AutoHF API Reference of the above functions documents all supported Hamiltonian terms and configuration settings, respectively.