Refactoring and debugging of Jordan Wigner transform (Issue #67) #82
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Signed-off-by: kvmto <[email protected]>
Signed-off-by: kvmto <[email protected]>
amccaskey
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Feb 10, 2025
libs/solvers/lib/operators/molecule/fermion_compilers/jordan_wigner.cpp
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Co-authored-by: Alex McCaskey <[email protected]>
I, Ben Howe <[email protected]>, hereby add my Signed-off-by to this commit: 6ae55b2 Signed-off-by: Ben Howe <[email protected]>
Signed-off-by: Ben Howe <[email protected]>
bmhowe23
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Feb 11, 2025
bmhowe23
reviewed
Feb 11, 2025
…iltonian and added to the tests. This is much quicker test than converting to matrix and doing a dense diagonalization. Signed-off-by: Scott Thornton <[email protected]>
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/ok to test |
I, Ben Howe <[email protected]>, hereby add my Signed-off-by to this commit: c8fcc53 Signed-off-by: Ben Howe <[email protected]>
Signed-off-by: Ben Howe <[email protected]>
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/ok to test |
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/ok to test |
Signed-off-by: Ben Howe <[email protected]>
The Python test is exercising the C++ code, so we do not need a separate C++ test for now. Signed-off-by: Ben Howe <[email protected]>
Signed-off-by: Ben Howe <[email protected]>
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/ok to test |
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Thanks to @Kenny-Heitritter and @james-qbraid for originally finding the parent issue for this PR! |
bmhowe23
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Feb 14, 2025
Signed-off-by: Ben Howe <[email protected]>
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This PR fixes #67.
Problem
The Jordan Wigner transform did not work correctly, in fact it generated hamiltonians with wrong coefficients or terms.
Changes
Changes so far have been applied to:
Rewritten from scratch jordan_wigner.cpp.
Added tests.
The original code from which the cpp version is created is https://github.com/quantumlib/OpenFermion/blob/v1.6.1/src/openfermion/transforms/opconversions/jordan_wigner.py#L128Additional notes
The PR is not done yet! It requires more tests and a second look to the implementation.The code has not been linted since much more changes are needed.Findings
The implementation for molecule H4 now has correct energy values but higher number of terms compared to the python version.Molecules like LiH do not achieve the correct energy values.(Edited by @bmhowe23 given the latest updates from everyone)
Thanks to @Kenny-Heitritter and @james-qbraid for originally finding this issue!