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A parallel implementation of an eigensolver designed for electronic structure calculations is presented. The method is applicable… Expand The computation of eigenvalues is one of the core topics of numerical mathematics. We will discuss an eigenvalue algorithm for… Expand ONETEP is a linear-scaling code for performing first-principles totalenergy calculations within density-functional theory (DFT… Expand It is demonstrated that the Schrödinger operator in Ĥ | ψk >= Ek | ψk > can be associated with a covariance matrix whose… Expand The use of bulk states to accelerate the band edge state calculation of a semiconductor quantum dot. Christof V¨ mel a… Expand We present a new technique to accelerate the convergence of the folded spectrum method in empirical pseudopotential band edge… Expand We apply the semiempirical nonlocal pseudopotential method to the investigation of prospects for direct carrier multiplication… Expand Cover illustrations: TOP LEFT: Ordered lubricants confined to nanoscale gap (Peter Cummings). BOTTOM LEFT: Hypothetical… Expand We present a parallel implementation of the previously developed folded spectrum method for empirical pseudopotential electronic… Expand Abstract Empirical pseudopotential plane wave theory is used to study the electronic and optical properties of thousand atom… Expand