Quantum Package

Introduction

  • Installation
  • Selected Configuration Interaction

User's guide

  • Quick-start guide
  • Interfaces
  • Excited states
  • Natural orbitals
  • Printing the near-FCI wave function
  • Working with external plugins
  • Index of commands
  • Index of programs

Programmer's guide

  • Programming in the Quantum Package
  • EZFIO
  • Developing plugins
  • Tutorial for creating a plugin
  • Tuto I: One- and two-e integrals (20 minutes)
  • Developping new functionals for KS or RS-DFT
  • Index for programmers

Appendix

  • Benchmarks
  • License
  • Contributors
  • References
Quantum Package
  • Search

© Copyright 2019, A. Scemama, E. Giner.

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