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  2. Parallel fast Fourier transforms for electronic structure calculations

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper4.html
    25 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.
  3. Localised spherical-wave basis set...

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper1.html
    25 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
  4. Corrected penalty-functional method...

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper2.html
    25 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,
  5. Accurate kinetic energy evaluation in electronic structure…

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper9.html
    25 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
  6. Preconditioned conjugate gradient method for the sparse generalized…

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper5.html
    25 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,
  7. Comparison of variational real-space representations of the kinetic…

    www.tcm.phy.cam.ac.uk/~pdh1001/papers/paper12.html
    25 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

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