polytypes",
}
+@Misc{talk2004,
+ title = "{Monte-Carlo-Simulation der Selbstorganisation
+ amorpher nonometrischer SiC$_x$-Ausscheidungen in
+ Silizium w{\"a}hrend C$^+$-Ionen-Implantation}",
+ author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
+ and B. Stritzker",
+ year = "2004",
+ month = "02",
+ note = "AKF-Fr{\"u}hjahrstagung der DPG, Regensburg, 02/2004,
+ DS 1.4",
+}
+
+@Misc{talk2005,
+ title = "{Kinetik des Selbstorganisationsvorganges bei der
+ Bildung von SiC$_x$-Ausscheidungs-Arrays in
+ C$^+$-Ionen-implantierten Silizium}",
+ author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
+ and B. Stritzker",
+ year = "2005",
+ month = "02",
+ note = "69. Jahrestagung der DPG, Berlin, 02/2005, DS 8.6",
+}
+
+@Misc{talk2008,
+ title = "Molecular dynamics simulation study of the silicon
+ carbide precipitation process",
+ author = "F. Zirkelbach and J. K. N. Lindner and K. Nordlund and
+ B. Stritzker",
+ year = "2008",
+ month = "01",
+ note = "72. Annual Meeting and DPG-Spring Meeting 2008,
+ Berlin, 01/2008, DS 42.2",
+}
+
+@Misc{poster2006,
+ title = "Monte Carlo simulation study of a selforganization
+ process leading to ordered precipitate structures",
+ author = "F. Zirkelbach and M. H{\"a}berlen and J. K. N. Lindner
+ and B. Stritzker",
+ year = "2006",
+ month = "09",
+ note = "IBMM 2006, Taormina (Sicily), 09/2006, M243",
+}
+
@Article{zirkelbach2007,
title = "Monte Carlo simulation study of a selforganisation
process leading to ordered precipitate structures",
Co. KGaA, Weinheim)",
}
+@Article{zirkelbach14,
+ author = "F. Zirkelbach and P.-Y. Prodhomme and P. Han and R.
+ Cherian and G. Bester",
+ title = "Large-scale Atomic Effective Pseudopotential Program
+ ({LATEPP}) including an efficient spin-orbit coupling
+ treatment in real space",
+ journal = "to be published",
+ year = "2014",
+ abstract = "Within the scheme of the {\em Large-scale Atomic
+ Effective Pseudopotential Program}, the Schr{\"o}dinger
+ equation of an electronic system is solved within an
+ effective single-particle approach. Although not
+ limited to, it focuses on the recently introduced
+ atomic effective pseudopotentials derived from screened
+ local effective crystal potentials as obtained from
+ self-consistent density functional theory calculations.
+ Plane waves are used to expand the wavefunctions. The
+ problem can be solved in both, real and reciprocal
+ space. Using atomic effective pseudopotentials, a
+ self-consistency cycle is not required, which
+ drastically reduces the computational effort.
+ Furthermore, without having to find a self-consistent
+ solution, which would require the determination of all
+ eigenstates, iterative solvers can be used to focus
+ only on a few eigenstates in the vicinity of a
+ reference energy, e.g.\ around the band gap of a
+ semiconductor. Hence, this approach is particularly
+ well suited for theoretical investigations of the
+ electronic structure of semiconductor nanostructures
+ consisting of up to several thousands of atoms.
+ Moreover, a novel and efficient real space treatment of
+ spin-orbit coupling within the pseudopotential
+ framework is proposed in this work allowing for a fully
+ relativistic description.",
+}
+
@Article{lindner95,
author = "J. K. N. Lindner and A. Frohnwieser and B.
Rauschenbach and B. Stritzker",
notes = "non-orthogonal basis set",
}
+@Article{artacho99,
+ author = "E. Artacho and D. Sánchez-Portal and P. Ordejón and
+ A. García and J. M. Soler",
+ title = "Linear-Scaling ab-initio Calculations for Large and
+ Complex Systems",
+ journal = "physica status solidi (b)",
+ volume = "215",
+ number = "1",
+ publisher = "WILEY-VCH Verlag",
+ ISSN = "1521-3951",
+ URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0",
+ doi = "10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0",
+ pages = "809--817",
+ year = "1999",
+}
+
@Article{loewdin50,
author = "Per-Olov L{\"{o}}wdin",
collaboration = "",
@Article{sleijpen96,
author = "G. G. Sleijpen and H. {Van der Vorst}",
- title = "A Jacobi¿Davidson Iteration Method for Linear
+ title = "A Jacobi--Davidson Iteration Method for Linear
Eigenvalue Problems",
journal = "SIAM Journal on Matrix Analysis and Applications",
volume = "17",
eprint = "http://epubs.siam.org/doi/pdf/10.1137/S0036144599363084",
}
+@Article{morgan91,
+ title = "Computing interior eigenvalues of large matrices",
+ journal = "Linear Algebra and its Applications",
+ volume = "154--156",
+ number = "0",
+ pages = "289--309",
+ year = "1991",
+ note = "",
+ ISSN = "0024-3795",
+ doi = "http://dx.doi.org/10.1016/0024-3795(91)90381-6",
+ URL = "http://www.sciencedirect.com/science/article/pii/0024379591903816",
+ author = "Ronald B. Morgan",
+}
+
@Article{sorensen92,
author = "D. Sorensen",
title = "Implicit Application of Polynomial Filters in a k-Step
eprint = "http://epubs.siam.org/doi/pdf/10.1137/0613025",
}
+@Article{paige95,
+ author = "Chris C. Paige and Beresford N. Parlett and Henk A.
+ {van der Vorst}",
+ title = "Approximate solutions and eigenvalue bounds from
+ Krylov subspaces",
+ journal = "Numerical Linear Algebra with Applications",
+ volume = "2",
+ number = "2",
+ publisher = "John Wiley & Sons, Ltd",
+ ISSN = "1099-1506",
+ URL = "http://dx.doi.org/10.1002/nla.1680020205",
+ doi = "10.1002/nla.1680020205",
+ pages = "115--133",
+ keywords = "Krylov subspace, Lanczos process, symmetric matrix,
+ conjugate gradients, minimum residual, Lehmann
+ intervals",
+ year = "1995",
+}
+
@Book{lehoucq98,
title = "Arpack User's Guide: Solution of Large-Scale
Eigenvalue Problems With Implicityly Restorted Arnoldi
publisher = "American Physical Society",
}
+@Article{briggs96,
+ title = "Real-space multigrid-based approach to large-scale
+ electronic structure calculations",
+ author = "E. L. Briggs and D. J. Sullivan and J. Bernholc",
+ journal = "Phys. Rev. B",
+ volume = "54",
+ issue = "20",
+ pages = "14362--14375",
+ numpages = "0",
+ year = "1996",
+ month = nov,
+ publisher = "American Physical Society",
+ doi = "10.1103/PhysRevB.54.14362",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.54.14362",
+}
+
+@Article{beck2000,
+ title = "Real-space mesh techniques in density-functional
+ theory",
+ author = "Thomas L. Beck",
+ journal = "Rev. Mod. Phys.",
+ volume = "72",
+ issue = "4",
+ pages = "1041--1080",
+ numpages = "0",
+ year = "2000",
+ month = oct,
+ publisher = "American Physical Society",
+ doi = "10.1103/RevModPhys.72.1041",
+ URL = "http://link.aps.org/doi/10.1103/RevModPhys.72.1041",
+}
+
@Article{saad10,
author = "Y. Saad and J. Chelikowsky and S. Shontz",
title = "Numerical Methods for Electronic Structure
URL = "http://link.aps.org/doi/10.1103/PhysRevB.51.10157",
publisher = "American Physical Society",
}
+
+@Article{hernandez96,
+ title = "Linear-scaling density-functional-theory technique:
+ The density-matrix approach",
+ author = "E. Hern\'andez and M. J. Gillan and C. M. Goringe",
+ journal = "Phys. Rev. B",
+ volume = "53",
+ issue = "11",
+ pages = "7147--7157",
+ year = "1996",
+ month = mar,
+ doi = "10.1103/PhysRevB.53.7147",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.53.7147",
+ publisher = "American Physical Society",
+}
+
+@Article{jordan12,
+ title = "Fast iterative interior eigensolver for millions of
+ atoms",
+ journal = "Journal of Computational Physics",
+ volume = "231",
+ number = "14",
+ pages = "4836--4847",
+ year = "2012",
+ note = "",
+ ISSN = "0021-9991",
+ doi = "http://dx.doi.org/10.1016/j.jcp.2012.04.010",
+ URL = "http://www.sciencedirect.com/science/article/pii/S0021999112001829",
+ author = "Gerald Jordan and Martijn Marsman and Yoon-Suk Kim and
+ Georg Kresse",
+}
+
+@Article{goedecker99,
+ title = "Linear scaling electronic structure methods",
+ author = "Stefan Goedecker",
+ journal = "Rev. Mod. Phys.",
+ volume = "71",
+ issue = "4",
+ pages = "1085--1123",
+ year = "1999",
+ month = jul,
+ doi = "10.1103/RevModPhys.71.1085",
+ URL = "http://link.aps.org/doi/10.1103/RevModPhys.71.1085",
+ publisher = "American Physical Society",
+}
+
+@Article{murayama94,
+ title = "Chemical trend of band offsets at wurtzite/zinc-blende
+ heterocrystalline semiconductor interfaces",
+ author = "M. Murayama and T. Nakayama",
+ journal = "Phys. Rev. B",
+ volume = "49",
+ issue = "7",
+ pages = "4710--4724",
+ year = "1994",
+ month = feb,
+ doi = "10.1103/PhysRevB.49.4710",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.49.4710",
+ publisher = "American Physical Society",
+}
+
+@Article{aryasetiawan98,
+ author = "F Aryasetiawan and O Gunnarsson",
+ title = "The {GW} method",
+ journal = "Reports on Progress in Physics",
+ volume = "61",
+ number = "3",
+ pages = "237",
+ URL = "http://stacks.iop.org/0034-4885/61/i=3/a=002",
+ year = "1998",
+}
+
+@Article{onida02,
+ title = "Electronic excitations: density-functional versus
+ many-body Green¿s-function approaches",
+ author = "Giovanni Onida and Lucia Reining and Angel Rubio",
+ journal = "Rev. Mod. Phys.",
+ volume = "74",
+ issue = "2",
+ pages = "601--659",
+ numpages = "0",
+ year = "2002",
+ month = jun,
+ publisher = "American Physical Society",
+ doi = "10.1103/RevModPhys.74.601",
+ URL = "http://link.aps.org/doi/10.1103/RevModPhys.74.601",
+}
+
+@Article{georges96,
+ title = "Dynamical mean-field theory of strongly correlated
+ fermion systems and the limit of infinite dimensions",
+ author = "Antoine Georges and Gabriel Kotliar and Werner Krauth
+ and Marcelo J. Rozenberg",
+ journal = "Rev. Mod. Phys.",
+ volume = "68",
+ issue = "1",
+ pages = "13--125",
+ numpages = "0",
+ year = "1996",
+ month = jan,
+ publisher = "American Physical Society",
+ doi = "10.1103/RevModPhys.68.13",
+ URL = "http://link.aps.org/doi/10.1103/RevModPhys.68.13",
+}
+
+@Article{kotilar06,
+ title = "Electronic structure calculations with dynamical
+ mean-field theory",
+ author = "G. Kotliar and S. Y. Savrasov and K. Haule and V. S.
+ Oudovenko and O. Parcollet and C. A. Marianetti",
+ journal = "Rev. Mod. Phys.",
+ volume = "78",
+ issue = "3",
+ pages = "865--951",
+ numpages = "0",
+ year = "2006",
+ month = aug,
+ publisher = "American Physical Society",
+ doi = "10.1103/RevModPhys.78.865",
+ URL = "http://link.aps.org/doi/10.1103/RevModPhys.78.865",
+}
projects / lectures / latex.git / blobdiff