Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 6 of 6 for “"quantum diffusion"”.
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Towards routine modelling of condensed phases with the accuracy of quantum Diffusion Monte Carlo
… surface (PES), and (ii) a fully anharmonic, quantum statistical treatment of ionic motion. Despite recent advancements addressing these challenges, routine and economically viable modelling of molecular crystals with quantitative agreement to experiments remains elusive. This thesis …
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An ultrasonic study of trapped hydrogen in niobium
… properties of such systems, particularly of the quantum diffusion effects which occur. A review of all the available data (specific heat, internal friction, neutron scattering, channeling, thermal conductivity) on Nb-O-H or Nb-N-H systems, is first given. By reexamining the data for clues, an …
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Diffusion of light adsorbates on transition metal surfaces
… Chapter 4 the analytical ISF is calculated for quantum Brownian motion and for coherent tunneling dynamics in a tight binding system. The bounce method for calculating quantum mechanical hopping rates in dissipative systems is applied to model diffusion of hydrogen on Ru(0001). Chapter 5 …