Using the Available Methods

As the name implies, pydmqmc was original written to perform Density Matrix Quantum Monte Carlo (DMQMC) simulations. Support for a broader variety of methods is planned for future releases.

The pydmqmc library is able to support both iterative calculations—such as it’s DMQMC namesake— and analytic calculations like Full Configuration Interaction (FCI). The supported methods are listed below based on these two categories.

Contents:

• Analytic Methods
  • Full Configuration Interaction
• Iterative Methods
  • Density-Matrix Quantum Monte Carlo Methods
    • Introduction
    • Setting up a DMQMC Simulation
    • Running a DMQMC Simulation
    • Saving Simulation Results
    • References