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The electronic structure package for quantum computers.

Results 129 OpenFermion issues
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the variable nprime has the second term divided by 4 instead of 2 https://github.com/quantumlib/OpenFermion/blob/a034397a13b1ea224e11746d4ee368cccf2bc962/src/openfermion/resource_estimates/sf/compute_cost_sf.py#L72 as per eq. B13. The inverse QROM should be on two registers (QI2) not one (QI).

bug

the costing function computes br for outer prepare and inner prepare differently: https://github.com/quantumlib/OpenFermion/blob/a034397a13b1ea224e11746d4ee368cccf2bc962/src/openfermion/resource_estimates/df/compute_cost_df.py#L53 Which would be fine but the br fed into cost two should be using the second (hardcoded...

help wanted
area/functionality
priority/p2

This MR adds eigenvalue truncation parameter according to incomplete TODO for `prepare_one_body_squared_evolution` method.

It seems odd that MajoranaOperator is not a sub-class of SymbolicOperator. A notable side effect is that contrary to QubitOperator and other SymbolicOperators, MajoranaOperator does not auto-remove terms that are...

The function `circuits.trotter_steps_required` incorrectly calculates the number of Trotter steps required, if I understand the function correctly. For a second-order product formula, the error on a simulation of $H$ over...

possible bug
area/functionality
status/awaiting-response

I have a quick question related to the correctness of the Jellium (plane wave basis) Hamiltonian - in particular the potential term. A minimal code snippet to generate the potential...

help wanted
area/functionality
priority/p2

I wanted to use big hydrogen chains for benchmarking of my code. However, as it turns out, the biggest Hchain I can created using the following piece of code is...

help wanted
area/performance
area/python
priority/p2

Hello, I am new with openfermion. I want to know if there is a way to calculate the unrestricted HF energy of a molecule for a fixed value of the...

The 'loose' and possibly 'tight' bounds calculated by `openfermion.circuits.error_bound` are incorrect. Evidence: - The 'loose' bound is numerically smaller than the 'tight' bound for simple 2D Ising models, which can...

help wanted
area/functionality
priority/p2
area/trotter

Cross-referenced from https://github.com/tencent-quantum-lab/tensorcircuit/issues/120 which uses `openfermion.chem` library I am trying to migrate [vqe_h2o.ipynb](https://github.com/tencent-quantum-lab/tensorcircuit/blob/master/docs/source/tutorials/vqe_h2o.ipynb) to use `CO2` [carbon dioxide molecule](https://gist.github.com/buttercutter/19cd09def3360f88db509670179fd54c/f48198df7129dcce72979f2d17c84efe82f450f4#file-vqe_co2-ipynb). Note: Another relevant issues would be https://github.com/quantumlib/OpenFermion/issues/744 and https://github.com/pyscf/pyscf/issues/1202#issuecomment-1416736671 which use...