394 citations · 1.3k across the 18 of their papers we have counts for
3 papers · 1 filter
Reliable density functional and G_0 W_0 approaches to the calculation of bandgaps in 2D materials
Musen Li, Michael J. Ford, Rika Kobayashi +2
Optimizing density-functional theory (DFT) and G0W0 calculations present coupled problems as orbitals from DFT are needed as G0W0 starting points. Applied to 341 two-dimensional (2…
Identification of the Chromophores in Prussian blue
Li Musen, Robin Purchase, Parvin Safari +6
Prussian blue was the world's first synthetic dye. Its structural, optical and magnetic properties have led to many applications in technology and medicine, and provide paradigms f…
Simulating optical linear absorption for mesoscale molecular aggregates: an adaptive hierarchy of pure states approach
Tarun Gera, Lipeng Chen, Alex Eisfeld +3
In this paper, we present a new method for calculating linear absorption spectra for large molecular aggregates, called dyadic adaptive HOPS (DadHOPS). This method combines the ada…