Block invariant symmetry shift (DF+LRPS) functionality #901
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Thanks for this contribution! I'll take a look ASAP |
ncrubin
reviewed
Jan 8, 2025
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| # Code for implementing the DF + LRPS decomposition found in https://arxiv.org/abs/2409.18277 | |||
| # | |||
| # Notes: | |||
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This should be in a function somewhere or in some tutorial / testing.
ncrubin
reviewed
Jan 13, 2025
| shift = np.median(eps) | ||
| return np.sum(np.abs(eps - shift)) | ||
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| def l1norm_lr_twobody_spatial(eps_params): |
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don't abbreviate low-rank with lr.
| """ | ||
| return np.sum(np.abs(np.linalg.eigh(obt)[0])) | ||
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| def l1norm_onebody_NSS_spatial(obt): |
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| # second set of functions is for calculating the DF decomposition. | ||
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| def obtain_lowrank_decomposition(tbt): |
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hardcoded cutoffs. 1) can you use existing openfermion infrastructure 2) make cutoffs inputs or optional inputs
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| return h_list, eps_params, lambda_params, Us | ||
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| def obtain_fermionic_unitarized_obt_spatial(obt, tbt): |
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| # third set of functions is for calculating LRPS part of DF + LRPS decomposition | ||
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| def obtain_lrps_shifts(eps_params): |
| eps_lrps.append(eps_params[alpha] - cur_shift) | ||
| return shifts, eps_lrps | ||
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| def obtain_lrps_fermionic_unitarized_obt_spatial(obt, eps_params, Us, shifts, eps_lrps, Ne): |
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lrps? But now correctly lower cased
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Added functions to implement the DF + LRPS method of https://arxiv.org/abs/2409.18277, along with functions to calculate the associated LCU 1-norm.