Wills, Craig E
The boundary conditions (BCs) in quantum mechanical scattering are examined in finite nanoscale systems. It was previously shown that scattering BCs can be used with the principle of stationary action to solve for the scattered wave in 1D and 2D. However, the mixed boundary conditions that are required quickly become complicated in finite domains and even more so in open domains. Padding the region of interest with an absorbing region, or "Stealth Region", which attenuates the wave while guaranteeing no reflection ensures that the mixed BCs are converted to simpler Dirichlet BCs. Additionally, the parallel codes were tested for scalability. The scalability of the matrix solver was poor, but the scalability of the rest of the codes was very good and overall scalability was reasonable.
Worcester Polytechnic Institute
Major Qualifying Project
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