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A Quantum Computational Approach to Multiconfigurational Valence Bond Theory

Example repository for ArXiv:2302.10660

  • h4.py: fast example of ring and linear H4 from paper
  • h4-slow.py: slow example (does not need extra structures)
  • utils.py: providing extra structures for fast example

In a nutshell

  • small quantum circuits are generated via graph-based construction (see ArXiv:2207.12421)
  • the total wavefunction is prepared a linear combination of the graph circuits
  • parameters are optimized via a global optimization procedure