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2015

2015

A parallel implementation of an eigensolver designed for electronic structure calculations is presented. The method is applicable… Expand

2013

2013

The computation of eigenvalues is one of the core topics of numerical mathematics. We will discuss an eigenvalue algorithm for… Expand

Review

2010

Review

2010

ONETEP is a linear-scaling code for performing first-principles totalenergy calculations within density-functional theory (DFT… Expand

2007

2007

It is demonstrated that the Schrödinger operator in Ĥ | ψk >= Ek | ψk > can be associated with a covariance matrix whose… Expand

2007

2007

The use of bulk states to accelerate the band edge state calculation of a semiconductor quantum dot. Christof V¨ mel a… Expand

2006

2006

We present a new technique to accelerate the convergence of the folded spectrum method in empirical pseudopotential band edge… Expand

Highly Cited

2004

Highly Cited

2004

We apply the semiempirical nonlocal pseudopotential method to the investigation of prospects for direct carrier multiplication… Expand

2002

2002

Cover illustrations: TOP LEFT: Ordered lubricants confined to nanoscale gap (Peter Cummings). BOTTOM LEFT: Hypothetical… Expand

Highly Cited

2000

Highly Cited

2000

We present a parallel implementation of the previously developed folded spectrum method for empirical pseudopotential electronic… Expand

Highly Cited

1996

Highly Cited

1996

Abstract Empirical pseudopotential plane wave theory is used to study the electronic and optical properties of thousand atom… Expand