State-Average Orbital-Optimization VQE

This is a documentation for SA-OO-VQE project. Together with this documentation it’s currently in the early phase of development.

Note

This project is under active development.

• Getting started
  • Paper
  • Installation from PyPi
  • Manual installation
• Example 1: Computation of Energies and Gradients
• Example 2: Computation of Gradients and Non-adiabatic Couplings
• Example 3: Computation of Energies with diabatization
• saoovqe package
  • Submodules
  • saoovqe.ansatz module
  • saoovqe.circuits module
  • saoovqe.gradient module
  • saoovqe.logger_config module
  • saoovqe.molecule module
  • saoovqe.problem module
  • saoovqe.vqe_optimization module
  • Module contents

Indices and tables

• Index

• Module Index

• Search Page