Fast Randomized Iteration for Electronic Structure Documentation

Overview

This project contains implementations of methods within the Fast Randomized Iteration (FRI) framework for performing quantum chemistry calculations on molecular systems and the Hubbard model. Implementations of the related Full Configuration Interaction Quantum Monte Carlo method are also included. A complete description and comparison of these methods can be found in this publication.

Currently these methods calculate only ground-state energies. Future versions of this code will support calculation of other observables.

The source code for this project is available at https://github.com/sgreene8/FRIES

Getting Started

• Installing FRIES
• Executing FRIES Programs