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oai:www.ideals.illinois.edu:2142/45654 2023-07-11 col_2142_14789 col_2142_5131 com_2142_14788 com_2142_8903 com_2142_5130

Gruebele, Martin Martin Gruebele Bhargava, Rohit Hirata, So McCall, Benjamin J. Berrios Rojas, Eduardo Ignacio 2013-08-22T16:56:49Z 2013-08-22T16:56:49Z 2015-08-22T10:00:51Z 2013-08 2013-08-22T16:56:49Z 2013-08 My Ph. D. studies can be divided in three main areas: quantum dynamics, intramolecular vibrational energy flow and gas phase vibrational spectroscopy. In the first area, we showed theoretically that the maximum fidelity reachable with vibrational qubits is approximately 0.9999 and 0.99 for one and two qubits gates, using conventional pulse shaper techniques. However, optimal control theory increases the fidelity for a two qubits gate up to 0.9999. In addition, I simulated the dynamics of two bare nuclei (deuterium-tritium) interacting with a shaped femtosecond laser pulse in one dimension. Simulations showed that the shaped laser pulse is able to keep the two nuclei together and bring them closer than an unshaped gaussian femtosecond laser pulse. This observation opens the question if a shaped femtosecond pulse could increase the fusion reaction rate in the laboratory. In the second area, new sets of stable vibrational states above the dissociation limit of thiophosge (SCCl2) were observed in addition to previously observed ones. These extra states close the gap between experiments and theory predictions. At last, in gas phase spectroscopy, we observed in a molecular beam thiophosgene dimer (S2C2Cl4) and assigned its low frequency vibrations using standard ab-initio and density functional theory. We also introduced Franck-Condon fingerprints to assign complex vibration-tunneling spectra. In this technique we replace precise frequency information with intensity information. As proof-of-concept, we used the excited electronic state of SCCl2 as prototype. An effective vibration-tunneling Hamiltonian was fitted for the B excited electronic state for the first time. Item withdrawn by Mark Zulauf (zulauf@illinois.edu) on 2013-07-09T13:56:17Z Item was in collections: University of Illinois Theses & Dissertations (ID: 1) No. of bitstreams: 1 Berrios_Rojas_Eduardo_Ignacio.pdf: 5566836 bytes, checksum: 8e0c6a4011cb54c2ed5764edce26f46b (MD5) Made available in DSpace on 2013-08-22T16:56:49Z (GMT). No. of bitstreams: 2 Eduardo Ignacio_Berrios Rojas.pdf: 5566842 bytes, checksum: b2b76db3545972b1e6aada5468b8105d (MD5) license.txt: 4079 bytes, checksum: 1157d44d465e88cbefdcbed23a4c8884 (MD5) Restriction data tranferred 2014-07-01T11:36:30-05:00 Original Data Group with Access Administrator Release Date: 2015-08-22 11:57:26 UTC Reason: Author requested closed access (OA after 2yrs) in Vireo ETD system Item marked as restricted to the 'Administrator' Group (id=1) by Seth Robbins (srobbins@illinois.edu) on 2013-08-22T16:57:38Z Item is restricted until 2015-08-22T16:57:26Z Limited Restriction Lifted for Item 45636 on 2015-08-22T10:00:51Z. http://hdl.handle.net/2142/45654 en Copyright 2013 Eduardo Ignacio Berrios Rojas Vibrational Energy Flow Quantum Computing Fusion. Dynamics of vibrational energy flow, quantum computing and laser assisted fusion text Chemistry 1413 Chemical Physics 0337 University of Illinois at Urbana-Champaign Dissertation Ph.D. PHD:Chemical Physics -UIUC 10KS0337PHD