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Conclusions
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper9/node6.html31 Oct 2002: Next: Acknowledgements Up: Accurate kinetic energy evaluation Previous: Tests and discussion. ... We have performed tests of the FFT box method and various orders of FD. -
Nonorthogonal generalized Wannier function pseudopotential plane-wave …
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11.html25 Feb 2005: We outline the theory on which our method is based and present test calculations on a variety of systems. -
Conclusions
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper11/node6.html31 Oct 2002: We have written a new code to implement and test this approach. ... Our test calculations on a variety of systems confirm that such a linear-scaling method should be directly comparable to traditional plane-waves. -
Corrected penalty-functional method for linear-scaling calculations…
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper2/25 Oct 2002: This scheme has been implemented and applied to the test case of 216 atoms of crystalline silicon. -
1. Introduction
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5/node1.html11 Jul 2000: To test the method we use a localized spherical-wave basis set introduced in another Communication [15] to perform first-principles calculations. ... Test cases are taken from the molecular chlorine and bulk silicon systems. -
OptaDOS -- About
www.tcm.phy.cam.ac.uk/~ajm255/optados/download.html3 Jun 2020: fix lorentz broadening and write out broadened agr. test logicals correctly. -
Group Publicatons
www.tcm.phy.cam.ac.uk/publications/Pubs2016.htmlReport on the sixth blind test of organic crystal structure prediction methods. -
Relativity Electrodynamics and Light Syllabus
www.tcm.phy.cam.ac.uk/~nrc25/red/redref.html18 Oct 2005: Fundamentals of Special Relativity: Experimental basis and tests of SR, Lorentz transformations, elementary consequences, Doppler effect, aberration and visual appearance of objects. -
Localised discrete Fourier transform
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper9/node4.html31 Oct 2002: Next: Tests and discussion Up: Theory Previous: Finite Differences. -
Richard Needs: Publications
www.tcm.phy.cam.ac.uk/~rn11/publications.html30 Mar 2021: Report on the sixth blind test of organic crystal structure prediction methods. ... Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test.
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