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We revisit the implementation of a two-qubit entangling gate, the Mølmer-Sørensen gate, using the adiabatic Rydberg dressing paradigm. We study the implementation of rapid adiabatic passage using a two-photon transition, which does not require the use of an ultra-violet laser, and can be implemented using only amplitude modulation of one field with all laser frequencies fixed. We find that entangling gate fidelities, comparable to the one-photon excitation, are achievable with the two-photon excitation. Moreover, we address how the adiabatic dressing protocol can be used to implement entangling gates outside the regime of a perfect Rydberg blockade. We show that using adiabatic dressing we can achieve a scaling of gate fidelity set by the fundamental limits to entanglement generated by the Rydberg interactions while simultaneously retaining limited population in the doubly excited Rydberg state. This allows for fast high fidelity gates for atoms separated beyond the blockade radius.
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Analytical gradients and derivative couplings for the TDDFT-1D method
We derive and implement analytic gradients and derivative couplings for time-dependent density functional theory plus one double (TDDFT-1D) which is a semiempirical configuration interaction method whereby the Hamiltonian is diagonalized in a basis of all singly excited configurations and one doubly excited configuration as constructed from a set of reference Kohn–Sham orbitals. We validate the implementation by comparing against finite difference values. Furthermore, we show that our implementation can locate both optimized geometries and minimum-energy crossing points along conical seams of S1/S0 surfaces for a set of test cases.
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- Award ID(s):
- 2102071
- PAR ID:
- 10440287
- Publisher / Repository:
- American Institute of Physics
- Date Published:
- Journal Name:
- The Journal of Chemical Physics
- Volume:
- 157
- Issue:
- 24
- ISSN:
- 0021-9606
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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