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Pablo Lopez Rios - Publications
www.tcm.phy.cam.ac.uk/~pl275/publications.html1 Jun 2020: Publications. Research papers. In preparation. Chemical accuracy by combined extrapolation of quantum Monte Carlo energies. M. Hosseini, P. López Ríos, and A. Alavi. Backflow transformations for solid molecular hydrogen at high pressure. P. López -
Accurate kinetic energy evaluation in electronic structure…
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper9.html25 Feb 2005: Computer Physics Communications 140, 315 (2001). Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids. C.-K. Skylaris, A. A. Mostofi, P. D. Haynes, C. J. Pickard and M. C. Payne. Theory -
Preconditioned conjugate gradient method for the sparse generalized…
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5.html25 Feb 2005: Computer Physics Communications 134, 33-40 (2001). Preconditioned conjugate gradient method for the sparse generalized eigenvalue problem in electronic structure calculations. C. K. Gan, P. D. Haynes and M. C. Payne. Theory of Condensed Matter, -
Parallel fast Fourier transforms for electronic structure calculations
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper4.html25 Feb 2005: Computer Physics Communications 130, 130-136 (2000). Parallel fast Fourier transforms for electronic structure calculations. Peter D. Haynes and Michel Côté. Theory of Condensed Matter, Cavendish Laboratory, Madingley Road, Cambridge, CB3 0HE, U.K. -
Failure of density-matrix minimization...
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper3.html25 Oct 2002: Solid State Communications 108, 737-741 (1998). Failure of density-matrix minimization methods for linear-scaling density-functional theory using the Kohn penalty-functional. P. D. Haynes and M. C. Payne. Theory of Condensed Matter, Cavendish -
Corrected penalty-functional method...
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper2.html25 Feb 2005: Physical Review B 59, 12173-12176 (1999). Corrected penalty-functional method for linear-scaling calculations within density-functional theory. P. D. Haynes and M. C. Payne. Theory of Condensed Matter, Cavendish Laboratory, Madingley Road, Cambridge, -
Comparison of variational real-space representations of the kinetic…
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper12.html25 Feb 2005: Physical Review B 66, 035119 (2002). Comparison of variational real-space representations of the kinetic energy operator. Chris-Kriton Skylaris, Oswaldo Diéguez, Peter D. Haynes and Mike C. Payne. Theory of Condensed Matter, Cavendish Laboratory -
Localised spherical-wave basis set...
www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper1.html25 Feb 2005: Computer Physics Communications 102, 17-27 (1997). Localised spherical-wave basis set for O(N) total-energy pseudopotential calculations. P. D. Haynes and M. C. Payne. Theory of Condensed Matter, Cavendish Laboratory, Madingley Road, Cambridge, CB3 -
Isaac Physics Programme
www.tcm.phy.cam.ac.uk/~mw141/rspp.html6 Sep 2017: Download samples of the books at the same site. Included are the content pages, introduction and the starts of the AS and the A2 sections of Mastering Physics, and all of -
Papers
www.tcm.phy.cam.ac.uk/~jsb56/pubs.html24 Oct 2022: Phys. Rev. E, 78:041704, Oct 2008. PhD Thesis. You can download my PhD thesis here.
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