v.1.9.6
New functionality in chemistry module, smaller bug fixes, minor changes.
New functionality in Chemistry Module:
Orbital Rotation Circuits
UR = mol.get_givens_circuit(spatial_orbital_transformation_matrix)Optimized compilation of Jordan-Wigner UCC excitation gates
According to: Yordanov et. al.
Unitary Conversion between Bravyi-Kitaev and Jordan-Wigner
U = mol.transformation.me_to_jw()Transform molecular RDMS
e.g. freeze orbital 1 (in JW) explicitly.
rdm1, rdm2 = mol.compute_rdms(..., rdm_trafo=tq.paulis.X([0,1])Otherwise
- dropping GPyOpt support (not updated to dependencies/new python versions)
- Qiskit translation updated to current qiskit version.
individual PRs
- Fixing Pyscf_mol.from_tq() (#342)
- Fixing Pyscf_mol.from_tq()
- RDMs transformation (#341)
- rdms transformation
- rdm_trafo default from False to None
- fix U.export_to() personalized (#344)
- Add Givens Methods (#343)
- add automatic construction of orbital rotation circuits
- control not passed form QubitExcitation to QubitExcitationImpl (#346)
- fixing error in the initialization of binary hamiltonians closes #394 (#351)
- Fermionic Excitation Implementation (#350)
- Fermionic Excitation Implementation
- made indices in Fermionic excitations more consistent
- Update chemistry_tools.py
- Update qc_base.from tequila (#353)
- Update simulator_qiskit.py (#354)
fixing u1, cu1 deprecation in qiskit - quantumchemistry: added encoding transformations (#345)
- quantum chemistry: added encoding transformations
- Update CI
- updating qiskit noise imports to latest versions (#355)
Co-authored-by: JdelArco98 [email protected]
Co-authored-by: Phillip W. K. Jensen [email protected]
Co-authored-by: JdelArco98 [email protected]
Co-authored-by: Deadly Artist [email protected]
Co-authored-by: Benjamin Meyer [email protected]