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Parallel fast Fourier transforms for electronic structure calculations
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper4/25 Oct 2002: Abstract:. We present a new method for performing fast Fourier transforms for electronic structure calculations on parallel computers which minimises the latency cost involved in communication between nodes. ... We compare the new and traditional methods -
The Paranormal and the Platonic Worlds
www.tcm.phy.cam.ac.uk/~bdj10/book1.html9 Oct 2002: 2 letters published in New Scientist on the reality of musical meaning. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper7/node2.html28 Oct 2002: Up: Boron Nitride Polymers: new Previous: Acknowledgments. ... Ehrenreich and F. Spaepen (Academic Press, New York, 1995), Vol. 49, pp. -
Boron Nitride Polymers: new building blocks for organic electronic…
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper7/28 Oct 2002: Boron Nitride Polymers: new building blocks for organic electronic devices. Michel Côté, Peter D. ... We demonstrate the similarity between organic polymers and their boron nitride analogues and then explore the potential innovations, including band -
Material design from first principles: the case of boron nitride…
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper13/28 Oct 2002: In recent years, first-principles quantum-mechanical simulations have become established as a complementary tool to experiments in the design and characterization of new materials. ... to tune the electronic properties of these new materials. -
Nonorthogonal generalized Wannier function pseudopotential plane-wave …
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/31 Oct 2002: This new approach allows us to perform density-functional calculations by solving directly for Non-orthogonal Generalised Wannier Functions' rather than extended Bloch states. -
Acknowledgments
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper7/node1.html28 Oct 2002: Next: Bibliography Up: Boron Nitride Polymers: new Previous: Boron Nitride Polymers: new. -
Bibliography
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper13/node11.html28 Oct 2002: Ehrenreich and F. Spaepen (Academic Press, New York, 1995), Vol. 49, pp. -
About this document ...
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper7/node3.html28 Oct 2002: Boron Nitride Polymers: new building blocks for organic electronic devices. This document was generated using the LaTeX2. -
Conclusions
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node6.html31 Oct 2002: Conclusions. We have developed a new formalism where we have recast the plane-wave pseudopotential method in terms of non-orthogonal localised functions instead of Kohn-Sham bands. ... We have written a new code to implement and test this approach.
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