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2015

2015

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

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2013

2013

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

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Review

2010

Review

2010

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

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Review

2008

Review

2008

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

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2007

2007

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

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2007

2007

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

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Highly Cited

2004

Highly Cited

2004

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

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2002

2002

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

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Highly Cited

2000

Highly Cited

2000

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

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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

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