README.md

tc-varqite-hamiltonians

Qubit Hamiltonians and orbitals used in the paper: https://arxiv.org/abs/2303.02007

Background

This repository contains the qubit Hamiltonians and molecular orbitals that can be used to reproduce the results of the paper: https://arxiv.org/abs/2303.02007

Use

The Hamiltonians are encoded in the Qiskit v0.19.6 standard and the molecular orbitals are provided in the Molden format (made by pyscf v[2.0.1])

Citation

If you use any of the data for your own research, please consider citing our work:

@ARTICLE{arXiv.2303.02007,
  journal={arXiv preprint arXiv:2303.02007},
	title         = "Ab Initio Transcorrelated Method enabling accurate Quantum
	Chemistry on near-term Quantum Hardware",
	author        = "Dobrautz, Werner and Sokolov, Igor O and Liao, Ke and
	R{\'\i}os, Pablo L{\'o}pez and Rahm, Martin and Alavi, Ali
	and Tavernelli, Ivano",
  year={2023}
  }

Version History

Initial release (v1.0): April 2023

Team

Current maintainers:

• Werner Dobrautz (mastodon.cloud@dobrautz, twitter@dobrautz, werner.dobrautz@gmail.com)

License

MIT License