APS March Meeting 2020 Presentations

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APS March Meeting 2020

Session L

L43. First-principles modeling of excited-state phenomena in materials VII: Electronic excitations: DFT and Beyond

L43.00002: Towards a systematic multi-scale method for excitations in molecular materials in the BigDFT code
Sponsor Unit(s): DCOMP DMP DCP
Martina Stella, Laura Ratcliff, Luigi Genovese

L43.00007: Density Functional Theory-based study of charge transfer in doped silicon nanowire with gold leads: A toy model for the p-n junction photovoltaic device
Sponsor Unit(s): DCOMP DMP DCP
Nathan Walker, Dmitri Kilin, Andrei Kryjevski

L43.00008: HJ-Aggregate Theory Applied to Interacting SP3-Hybridization Defects in Carbon Nanotubes
Sponsor Unit(s): DCOMP DMP DCP
Braden Weight, Andrew Sifain, Brendan Gifford, Svetlana Kilina, Sergei Tretiak