notes = "configuration-interaction method, ci",
}
+@Article{zunger02,
+ author = "Alex Zunger",
+ title = "On the Farsightedness (hyperopia) of the Standard k ·
+ p Model",
+ journal = "physica status solidi (a)",
+ volume = "190",
+ number = "2",
+ publisher = "WILEY-VCH Verlag Berlin GmbH",
+ ISSN = "1521-396X",
+ URL = "http://dx.doi.org/10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4",
+ doi = "10.1002/1521-396X(200204)190:2<467::AID-PSSA467>3.0.CO;2-4",
+ pages = "467--475",
+ keywords = "73.20.At, 73.21.Cd, 73.21.La, 73.22.¿b, 78.20.Bh",
+ year = "2002",
+}
+
@Article{robertson90,
author = "I. J. Robertson and M. C. Payne",
title = "k-point sampling and the k.p method in pseudopotential
notes = "spin orbit pseudopotential formulation",
}
+@Article{hemstreet93,
+ title = "First-principles calculations of spin-orbit splittings
+ in solids using nonlocal separable pseudopotentials",
+ author = "L. A. Hemstreet and C. Y. Fong and J. S. Nelson",
+ journal = "Phys. Rev. B",
+ volume = "47",
+ issue = "8",
+ pages = "4238--4243",
+ year = "1993",
+ month = feb,
+ doi = "10.1103/PhysRevB.47.4238",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.47.4238",
+ publisher = "American Physical Society",
+}
+
@Article{naveh07,
title = "Real-space pseudopotential method for spin-orbit
coupling within density functional theory",
notes = "real space spin orbit pseudopotential implementation",
}
+@Article{verstraete08,
+ title = "Density functional perturbation theory with spin-orbit
+ coupling: Phonon band structure of lead",
+ author = "Matthieu J. Verstraete and Marc Torrent and
+ Fran\mbox{\c{c}}ois Jollet and Gilles Z\'erah and
+ Xavier Gonze",
+ journal = "Phys. Rev. B",
+ volume = "78",
+ issue = "4",
+ pages = "045119",
+ numpages = "9",
+ year = "2008",
+ month = jul,
+ doi = "10.1103/PhysRevB.78.045119",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.78.045119",
+ publisher = "American Physical Society",
+}
+
+@Article{cuadrado12,
+ author = "R. Cuadrado and J. I. Cerdá",
+ title = "Fully relativistic pseudopotential formalism under an
+ atomic orbital basis: spin-orbit splittings and
+ magnetic anisotropies",
+ journal = "Journal of Physics: Condensed Matter",
+ volume = "24",
+ number = "8",
+ pages = "086005",
+ URL = "http://stacks.iop.org/0953-8984/24/i=8/a=086005",
+ year = "2012",
+}
+
+@Article{canning00,
+ title = "Parallel Empirical Pseudopotential Electronic
+ Structure Calculations for Million Atom Systems",
+ journal = "Journal of Computational Physics",
+ volume = "160",
+ number = "1",
+ pages = "29--41",
+ year = "2000",
+ note = "",
+ ISSN = "0021-9991",
+ doi = "http://dx.doi.org/10.1006/jcph.2000.6440",
+ URL = "http://www.sciencedirect.com/science/article/pii/S0021999100964404",
+ author = "A. Canning and L. W. Wang and A. Williamson and A.
+ Zunger",
+}
+
+@Article{oliveira08,
+ title = "Generating relativistic pseudo-potentials with
+ explicit incorporation of semi-core states using {APE},
+ the Atomic Pseudo-potentials Engine",
+ journal = "Computer Physics Communications",
+ volume = "178",
+ number = "7",
+ pages = "524--534",
+ year = "2008",
+ note = "",
+ ISSN = "0010-4655",
+ doi = "http://dx.doi.org/10.1016/j.cpc.2007.11.003",
+ URL = "http://www.sciencedirect.com/science/article/pii/S0010465507004651",
+ author = "Micael J. T. Oliveira and Fernando Nogueira",
+ keywords = "Pseudo-potential",
+ keywords = "Electronic structure",
+ keywords = "Density functional",
+}
+
@Article{fornberg88,
author = "Bengt Fornberg",
title = "Generation of finite difference formulas on
publisher = "American Physical Society",
}
+@Misc{aep12,
+ title = "Atomic effective pseudopotentials for semiconductors",
+ author = "J. R. C\'ardenas and G. Bester",
+ year = "2012",
+ month = sep,
+ URL = "http://www.fkf.mpg.de/bester/downloads/downloads.html",
+ eprint = "http://www.fkf.mpg.de/bester/downloads/downloads.html",
+}
+
+@Article{bester05,
+ title = "Cylindrically shaped zinc-blende semiconductor quantum
+ dots do not have cylindrical symmetry:\quad{}Atomistic
+ symmetry, atomic relaxation, and piezoelectric
+ effects",
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+ journal = "Phys. Rev. B",
+ volume = "71",
+ issue = "4",
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+ numpages = "12",
+ year = "2005",
+ month = jan,
+ doi = "10.1103/PhysRevB.71.045318",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.71.045318",
+ publisher = "American Physical Society",
+}
+
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publisher = "American Physical Society",
}
+
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+ author = "{OpenMP Architecture Review Board}",
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+ pages = "324--325",
+ month = sep,
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+}
+
+@Article{hartwigsen98,
+ title = "Relativistic separable dual-space Gaussian
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+ author = "C. Hartwigsen and S. Goedecker and J. Hutter",
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+ year = "1998",
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+ doi = "10.1103/PhysRevB.58.3641",
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+ publisher = "American Physical Society",
+}
+
+@InProceedings{frigo98,
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+ year = "1998",
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+ volume = "3",
+ number = "",
+ pages = "1381--1384",
+ keywords = "DFT;FFT;FFTW;adaptive FFT program;adaptive software
+ architecture;computer architecture;fast
+ algorithm;floating-point operations;memory
+ hierarchy;performance;processor
+ pipeline;self-optimizing approach;adaptive
+ systems;discrete Fourier transforms;fast Fourier
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+ doi = "10.1109/ICASSP.1998.681704",
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+ volume = "93",
+ number = "2",
+ pages = "216--231",
+ keywords = "DFT algorithm;FFTW3 design;FFTW3 version;cosine
+ transforms;discrete Fourier transform;hand optimized
+ libraries;machine specific single instruction;multiple
+ data instructions;sine transforms;software
+ structure;discrete Fourier transforms;discrete cosine
+ transforms;mathematics computing;optimising
+ compilers;parallel programming;software libraries;",
+ doi = "10.1109/JPROC.2004.840301",
+ ISSN = "0018-9219",
+}
+
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+ author = "Daisuke Takahashi",
+ affiliation = "Graduate School of Systems and Information
+ Engineering, University of Tsukuba, 1-1-1 Tennodai,
+ Tsukuba, Ibaraki, 305-8573 Japan",
+ title = "An Implementation of Parallel 3-{D} {FFT} with 2-{D}
+ Decomposition on a Massively Parallel Cluster of
+ Multi-core Processors",
+ booktitle = "Parallel Processing and Applied Mathematics",
+ series = "Lecture Notes in Computer Science",
+ editor = "Roman Wyrzykowski and Jack Dongarra and Konrad
+ Karczewski and Jerzy Wasniewski",
+ publisher = "Springer Berlin / Heidelberg",
+ ISBN = "978-3-642-14389-2",
+ keyword = "Computer Science",
+ pages = "606--614",
+ volume = "6067",
+ URL = "http://dx.doi.org/10.1007/978-3-642-14390-8_63",
+ year = "2010",
+}
+
+@Misc{ffte11,
+ title = "{FFTE}: {A} Fast Fourier Transform Package",
+ author = "D. Takahashi",
+ year = "2011",
+ month = nov,
+ URL = "http://www.ffte.jp/",
+ eprint = "http://www.ffte.jp/",
+}
+
+@Article{kane05,
+ title = "Quantum Spin Hall Effect in Graphene",
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+ journal = "Phys. Rev. Lett.",
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+ issue = "22",
+ pages = "226801",
+ numpages = "4",
+ year = "2005",
+ month = nov,
+ doi = "10.1103/PhysRevLett.95.226801",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevLett.95.226801",
+ publisher = "American Physical Society",
+}
+
+@Article{kane05_2,
+ title = "${Z}_{2}$ Topological Order and the Quantum Spin Hall
+ Effect",
+ author = "C. L. Kane and E. J. Mele",
+ journal = "Phys. Rev. Lett.",
+ volume = "95",
+ issue = "14",
+ pages = "146802",
+ numpages = "4",
+ year = "2005",
+ month = sep,
+ doi = "10.1103/PhysRevLett.95.146802",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevLett.95.146802",
+ publisher = "American Physical Society",
+}
+
+@Article{moore07,
+ title = "Topological invariants of time-reversal-invariant band
+ structures",
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+ volume = "75",
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+ numpages = "4",
+ year = "2007",
+ month = mar,
+ doi = "10.1103/PhysRevB.75.121306",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.75.121306",
+ publisher = "American Physical Society",
+}
+
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+ author = "Markus K{\"o}nig and Steffen Wiedmann and Christoph
+ Br{\"u}ne and Andreas Roth and Hartmut Buhmann and
+ Laurens W. Molenkamp and Xiao-Liang Qi and Shou-Cheng
+ Zhang",
+ title = "Quantum Spin Hall Insulator State in HgTe Quantum
+ Wells",
+ volume = "318",
+ number = "5851",
+ pages = "766--770",
+ year = "2007",
+ doi = "10.1126/science.1148047",
+ URL = "http://www.sciencemag.org/content/318/5851/766.abstract",
+ eprint = "http://www.sciencemag.org/content/318/5851/766.full.pdf",
+ journal = "Science",
+}
+
+@Article{bernevig06,
+ author = "B. Andrei Bernevig and Taylor L. Hughes and Shou-Cheng
+ Zhang",
+ title = "Quantum Spin Hall Effect and Topological Phase
+ Transition in HgTe Quantum Wells",
+ volume = "314",
+ number = "5806",
+ pages = "1757--1761",
+ year = "2006",
+ doi = "10.1126/science.1133734",
+ URL = "http://www.sciencemag.org/content/314/5806/1757.abstract",
+ eprint = "http://www.sciencemag.org/content/314/5806/1757.full.pdf",
+ journal = "Science",
+}
+
+@Article{barnevig06_2,
+ title = "Quantum Spin Hall Effect",
+ author = "B. Andrei Bernevig and Shou-Cheng Zhang",
+ journal = "Phys. Rev. Lett.",
+ volume = "96",
+ issue = "10",
+ pages = "106802",
+ numpages = "4",
+ year = "2006",
+ month = mar,
+ doi = "10.1103/PhysRevLett.96.106802",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevLett.96.106802",
+ publisher = "American Physical Society",
+}
+
+@Article{hasan10,
+ title = "\textit{Colloquium} : Topological insulators",
+ author = "M. Z. Hasan and C. L. Kane",
+ journal = "Rev. Mod. Phys.",
+ volume = "82",
+ issue = "4",
+ pages = "3045--3067",
+ year = "2010",
+ month = nov,
+ doi = "10.1103/RevModPhys.82.3045",
+ URL = "http://link.aps.org/doi/10.1103/RevModPhys.82.3045",
+ publisher = "American Physical Society",
+}