Alicia Rae Welden

Alicia Rae Welden
University of Michigan | U-M · Department of Chemistry

PhD

About

6
Publications
696
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134
Citations

Publications

Publications (6)
Article
In this paper, we report on the implementation of a novel compute-to-learn pedagogy, which is based upon the theories of situated cognition and meaningful learning. The compute-to-learn pedagogy is designed to simulate an authentic research experience as part of the undergraduate curriculum, including project development, teamwork, peer review, and...
Article
Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature methods, since these methods require an explicit evaluation of multiple excited states in order to account for any...
Article
Full-text available
Including finite-temperature effects into electronic structure calculations of semiconductors and metals is frequently necessary, but can become cumbersome using zero-temperature methods, which require an explicit evaluation of excited states to extend the approach to finite-temperature. Using a Matsubara Green's function formalism, it is easy to i...
Article
The popular, stable, robust and computationally inexpensive cubic spline interpolation algorithm is adopted and used for finite temperature Green's function calculations of realistic systems. We demonstrate that with appropriate modifications the temperature dependence can be preserved while the Green's function grid size can be reduced by about tw...
Article
Full-text available
One-body Green's function theories implemented on the real frequency axis offer a natural formalism for the unbiased theoretical determination of quasiparticle spectra in molecules and solids. Self-consistent Green's function methods employing the imaginary axis formalism on the other hand can benefit from the iterative implicit resummation of high...

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