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Abstract Spin-flip (SF) methods applied to excited-state approaches like the Bethe–Salpeter equation allow access to the excitation energies of open-shell systems, such as molecules and defects in solids. The eigenstates of these solutions, however, are generally not eigenstates of the spin operator . Even for simple cases where the excitation vector is expected to be, for example, a triplet state, the value of may be found to differ from 2.00; this difference is called ‘spin contamination’. The expectation values must be computed for each excitation vector, to assist with the characterization of the particular excitation and to determine the amount of spin contamination of the state. Our aim is to provide for the first time in the SF methods literature a comprehensive resource on the derivation of the formulas for as well as its computational implementation. After a brief discussion of the theory of the SF Bethe–Salpeter equation (BSE) and some examples further illustrating the need for calculating , we present the derivation for the general equation for computing with the eigenvectors from an SF-BSE calculation, how it is implemented in a Python script, and timing information on how this calculation scales with the size of the SF-BSE Hamiltonian.more » « less
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Barker, B; Valentine, D; Grandgenett, N; Keshwani, J; Burnett, A . (, E-Learn World Conference on E-Learning 978-1-939797-35-3)The Nebraska Innovation Maker Co-Laboratory (NiMC) project is developing a model to establish and support makerspaces in rural communities. As makerspaces gain in popularity a chasm has developing between urban access and lack thereof for rural populations. The MiMC model supports collaboration between university faculty and staff and rural makerspaces by utilizing virtual reality and telepresence robots. The exploratory research project deployed telepresence robotics to teach, co-teach and provide project support to a rural community (pop. 7,000) makerspace. Virtual reality was used to teach creativity concepts, VR digital creation and digital to physical manifestation of projects. The NiMC project will continue to explore the model of connection and support of rural makerspaces.more » « less
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Endeve, E; Buffaloe, J; Dunham, S; Roberts, N; Andrew, K; Barker, B; Pochik, D; Pulsinelli, J; Mezzacappa, A (, Journal of physics Conference series)The toolkit for high-order neutrino-radiation hydrodynamics (thornado) is being developed for simulations of core-collapse supernovae (CCSNe) and related problems. Current capabilities in thornado include solvers for the Euler equations — in non-relativistic and special relativistic limits — and the two-moment model of neutrino transport. The spatial discretization in thornado is based on the discontinuous Galerkin (DG) method, which is receiving increased attention from the computational astrophysics community. In this paper, we provide an overview of the numerical methods for the Euler equations in thornado, and present some encouraging preliminary numerical results from a set of basic tests in one and two spatial dimensions.more » « less
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