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QMB Models
This repository houses a collection of physical and chemical models.
These models are used as data for the qmb package, which can be found here.
This repository contains data in OpenFermion format originally sourced from here and distributed under the MIT License. To load the data in OpenFermion format, users can use the following Python code:
openfermion.MolecularData(filename="xxx.hdf5")
For additional details, please consult the official OpenFermion documentation.
This repository also includes data in FCIDUMP format, which has been compressed using gzip to reduce file size.
FCIDUMP files typically contain essential information such as orbital number, electron number, and Hamiltonian data.
To facilitate ease of use for upstream applications, we have named the FCIDUMP files in a structured format: {model}_{n_electrons}_{n_qubits}.FCIDUMP.gz.
Additionally, we provide a reference energy catalog for these files in the file FCIDUMP.yaml.
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