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MO: Molekülphysik
MO 53: Molecular Quantum Computing
MO 53.5: Talk
Thursday, March 16, 2006, 15:15–15:30, H12
Experimentally feasible quantum gates for MnBr(CO)5 — •Brigitte Korff1, Ulrike Troppmann2, Karl L. Kompa1, and Regina de Vivie-Riedle2 — 1MPI für Quantenoptik, Hans-Kopfermann-Str. 1, 85748 Garching — 2LMU München, Department Chemie, Butenandt-Str. 11, 81377 München
In our concept for quantum computing qubits are encoded in vibrational normal modes of polyatomic molecules. Quantum gates are implemented by shaped femtosecond laser pulses. We adopt this concept to Manganese-pentacarbonyl-bromide (MnBr(CO)5) [1] a promising candidate in the mid-IR frequency range to connect theory and experiment. The 2D ab initio potential energy surface (PES) and the associated dipole vector surfaces spanned by the two strongest IR active modes are computed with DFT. Allowance for environmental effects makes the model flexible for variable experimental conditions. From the PES the vibrational eigenstates representing the qubit system are calculated. Laser pulses are optimized by multi target optimal control theory (MTOCT) to form a set of elementary global quantum gates. For all of them simply structured pulses with low pulse energies around 1 µJ and switching efficiencies above 99% could be obtained. Exemplarily for the CNOT gate we investigated the possible transfer to the experiment based on the mask function for pulse shaping in the frequency regime as well as decomposition into a train of gaussian subpulses.
[1] B. Korff et al, J. Chem. Phys. 123 (2005) 23xxxx