QForte: an efficient state simulator and quantum algorithms library for molecular electronic structure
Abstract
We introduce a novel open-source software package QForte, a comprehensive development tool for new quantum simulation algorithms. QForte incorporates functionality for handling molecular Hamiltonians, fermionic encoding, ansatz construction, time evolution, and state-vector simulation, requiring only a classical electronic structure package as a dependency. QForte also contains black-box implementations of a wide variety of quantum algorithms including (but not limited to): variational and projective quantum eigensolvers, adaptive eigensolvers, quantum imaginary time evolution, quantum Krylov methods, and quantum phase estimation. We highlight two features of QForte: i) how the Python class structure of QForte enables the facile implementation of new algorithms, and ii) how existing algorithms can be executed in just a few lines of code.
- Publication:
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arXiv e-prints
- Pub Date:
- August 2021
- DOI:
- 10.48550/arXiv.2108.04413
- arXiv:
- arXiv:2108.04413
- Bibcode:
- 2021arXiv210804413S
- Keywords:
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- Quantum Physics;
- Physics - Chemical Physics