Questions tagged [openfermion]

For questions related to OpenFermion python library for studying quantum algorithms related to fermionic systems such as those arising in quantum chemistry.

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Openfermion state transformation from Bravyi-Kitaev basis to occupation number

I'm working in the Bravyi-Kitaev basis implemented by the openfermion.bravyi_kitaev() function to find the ground state of a fermionic operator in the BK ...
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Questions about OpenFermion

I have some questions about OpenFermion. I'm exploring the code, does anybody knows how to implement triatomic molecules like Li-H2? How should I set the number of orbitals? Last but not least, once ...
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72 views

Compute expectation value of an operator in openfermion

I am trying to compute the 2-electron reduced-density matrix (2-RDM) for a given quantum state with openfermion. The code is as follow ...
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1answer
67 views

Openfermion : `get_sparse_operator` issue

I am trying to use operfermion to calculated the eigen values for different molecules. Tried for Hydrogen, LithiumHydride, Water. It works fine. When Itried to calculated the same thing for Ozone, ...
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153 views

Finding the norm of a Hamiltonian

I am experimenting with https://journals.aps.org/prx/pdf/10.1103/PhysRevX.8.041015 and in equation 36 I find that they use the norm of the Hamiltonian. Is there a clean way to compute it, or an upper ...
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63 views

How to get eigenvectors of Hamiltonian in OpenFermion

In OpenFermion you can create a Hamiltonian in terms of creation and annihilation pretty easily: ...
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85 views

Molecular Docking using Quantum Computing

I would like to ask if somebody could suggest me a pair of ligand-Protein which had been validated and the corresponding resulting drug is already being used commercially. I am interested in ...
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1answer
57 views

noisy circuit by openfermion

I am working on designing quantum error mitigation algorithms for simulating chemical systems. Therefore, a necessary component is to add noisy to the ideal circuit when using a quantum simulator. But ...
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1answer
190 views

implement variational quantum eigensolver with openfermion

Can someone provide me with an example about how to implement VQE with OpenFermion, for example, use the UCCSD ansatz to get the ground state energy of LiH. I have checked some code, but none of them ...
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138 views

How to get a molecular Hamiltonians in OpenFermion

I want to get a jordan_wigner_hamiltonians of a molecule-ion by using ...
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56 views

"$W_n$ state" in Bravyi-Kitaev encoding

For a particular simulation, I need the initial (physical) state of the QC to represent the equal superposition of all single-occupancy fermionic second-quantized states. In Jordan-Wigner encoding, I ...
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286 views

Openfermion to qiskit

Is there a direct way to go from an object generated in openfermion to objects usable in Qiskit. I can't find anything about any plugin. It's not too hard to translate into pyQuil and then to Qiskit ...
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Error during Forest openfermion installation

I tried installing Forest openfermion by pip install forestopenfermion and I got the following long error message (cut): ...