Berlin 2005 – scientific programme
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MO: Molekülphysik
MO 33: Quantum Control I
MO 33.4: Talk
Monday, March 7, 2005, 15:00–15:15, HU 2091
MnBr(CO)5 a candidate for a molecular qubit system — •Brigitte Korff1, Ulrike Troppmann2, Karl Kompa1, and Regina de Vivie-Riedle2 — 1MPI für Quantenoptik, Hans-Kopfermann-Str. 1, 85748 Garching — 2LMU München, Department Chemie, Butenandtstr. 11, 81377 München
An increasing number of ideas for realizations of quantum computing have been discussed accompanied by experimental efforts. In our proposal we suggested to use the vibrational normal modes of polyatomic molecules as qubit systems and shaped femtosecond laser pulses as quantum gates [1,2]. When IR active modes are selected to encode the qubit system strong IR absorption bands are needed. Manganese-pentacarbonyl-bromide [MnBr(CO)5] is found to be a good candidate. It is still of calculable size and fulfils the requirements for experimental realization. The two normal modes with the strongest absorption bands, which are of A1 and E symmetry, were selected as qubits. The corresponding potential energy surface and dipole moments were calculated with DFT. Subsequently the vibrational eigenfunctions were evaluated. Elementary one and two qubit quantum gates were calculated using the multi target OCT variant [2]. Intensity and shape of the optimized laser fields are compared to experimental limits achieved in similar IR shaping setups.
[1] C.M. Tesch, L. Kurtz, R. de Vivie-Riedle, Chem. Phys. Lett. 343
(2001) 633-641.
[2] C.M. Tesch, R. de Vivie-Riedle, Phys. Rev. Lett. 89 (2002) 157901.