PyQED

Getting started

  • Installation
  • Five-minute quickstart
  • Tutorials and learning paths
  • Examples Gallery

Concepts and user guides

  • Theory Overview
  • User guides
  • Backends and Integral Representations
  • Quantum Chemistry
  • Hartree-Fock Analysis
  • MP2 and COMP2
  • GW and BSE
  • TDDFT and Ehrenfest Dynamics
  • Matrix Product States
  • Discrete Variable Representation
  • Geometric Quantum Dynamics
  • Floquet
  • Models
  • Nonadiabatic Molecular Dynamics
  • Polariton
  • HEOM and structured baths

API and implementation

  • API entry points
  • Quantum Chemistry Architecture
  • Non-Abelian DMRG Design Notes

Evidence and citation

  • Capability maturity
  • Benchmarks and validation
  • Citing PyQED

Develop and get help

  • Development and contribution
  • Support and problem reports
  • People and project organization
PyQED
  • Search

© Copyright 2022-2026, Bing Gu and PyQED contributors.

Built with Sphinx using a theme provided by Read the Docs.