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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Difference between Qiskit and Openfermion two body integrals
I am struggling with understanding the differences between OpenFermion and Qiskit libraries when it comes to Molecular Data, two body integrals.
For example, I am working with the following ...
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Using Qiskit or Openfermion to obtain 2RDM and 1RDM in noisy environments
I will explain my process in detail, which may be a bit lengthy
We know Fermion Hamiltonians can be expressed as $H = h_0 + \sum_{pq} h_{pq} a_p^{\dagger}a_q + \sum_{pqrs} h_{pqrs} a_p^{\dagger}a_q^{\...
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Cirq/OpenFermion Trotterization of parametrised FermionOperator?
I am using OpenFermion and Cirq. I would like to define a Hamiltonian with a symbolic parameter and then generate a quantum circuit via Trotterization of its time evolution, which then also contains ...
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How to rewrite this Cirq problem into Qiskit?
I have a following example problem in Cirq, representing a very simple operator given by
$$
\hat{H} = a^\dagger_0a_2 + a_0a^\dagger_1 + 0.9\, a^\dagger_0a_1a^\dagger_2a^\dagger_3 + a^\...
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What does PhISwap gate mean in Cirq?
I am currently using the Cirq pakage and when drawing the circuit structure, I constantly encountered the PhISwap gate, like in here. What does this gate mean?
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What operators preserve antisymmetry?
I would like to understand better what kind of operators maintain antisymmetry as explained in Quantum simulation of chemistry with sublinear scaling in basis size:
Evolution under the Hamiltonian ...
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1
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How to perform a controlled Pauli string rotation gate?
I would like to know some circuit decomposition for an arbitrary controlled Pauli string rotation:
\begin{equation}
|0\rangle\langle 0| \otimes e^{i \theta (P_1\otimes...\otimes P_n)}+ |1\rangle\...
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Freeze electrons in openfermion
I am trying to generate a hamiltonian for the H2O molecule using openfermion-pyscf.
As far as I understand by default openfermion is generating two 1s orbitals for H atoms and 1s, 2s, 2px, 2py, 2pz ...
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358
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Hartree Fock state in Openfermion
I wonder what is the Hartree Fock state in openfermion. Is it 110000 or 000011, assume 6 qubits and 2 particles?
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Evaluating $\texttt{FermionOperator}$ equality in Openfermion
Apologies if this is the wrong place to ask this kind of question.
I have a simple question about Openfermion. I have two normal ordered FermionOperators ...
- 411
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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 ...
2
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1
answer
230
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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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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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1
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612
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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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216
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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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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 ...
3
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1
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79
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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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1
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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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1
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479
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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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"$W_n$ 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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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 ...
2
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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):
...
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