% bibliography database
%
+@Article{schroedinger26,
+ author = "E. Schrödinger",
+ title = "Quantisierung als Eigenwertproblem",
+ journal = "Annalen der Physik",
+ volume = "384",
+ number = "4",
+ publisher = "WILEY-VCH Verlag",
+ ISSN = "1521-3889",
+ URL = "http://dx.doi.org/10.1002/andp.19263840404",
+ doi = "10.1002/andp.19263840404",
+ pages = "361--376",
+ year = "1926",
+}
+
@Article{albe_sic_pot,
author = "Paul Erhart and Karsten Albe",
title = "Analytical potential for atomistic simulations of
doi = "10.1103/PhysRevB.71.035211",
}
+@Article{erhart04,
+ title = "The role of thermostats in modeling vapor phase
+ condensation of silicon nanoparticles",
+ journal = "Applied Surface Science",
+ volume = "226",
+ number = "1-3",
+ pages = "12--18",
+ year = "2004",
+ note = "EMRS 2003 Symposium F, Nanostructures from Clusters",
+ ISSN = "0169-4332",
+ doi = "DOI: 10.1016/j.apsusc.2003.11.003",
+ URL = "http://www.sciencedirect.com/science/article/B6THY-4B957HV-8/2/b35dbe80a70d173f6f7a00dacbcbd738",
+ author = "Paul Erhart and Karsten Albe",
+}
+
@Article{albe2002,
title = "Modeling the metal-semiconductor interaction:
Analytical bond-order potential for platinum-carbon",
entropy calculations",
}
+@Article{munro99,
+ title = "Defect migration in crystalline silicon",
+ author = "Lindsey J. Munro and David J. Wales",
+ journal = "Phys. Rev. B",
+ volume = "59",
+ number = "6",
+ pages = "3969--3980",
+ numpages = "11",
+ year = "1999",
+ month = feb,
+ doi = "10.1103/PhysRevB.59.3969",
+ publisher = "American Physical Society",
+ notes = "eigenvector following method, vacancy and interstiial
+ defect migration mechanisms",
+}
+
@Article{colombo02,
title = "Tight-binding theory of native point defects in
silicon",
silicon, si self interstitials, free energy",
}
+@Article{mattsson08,
+ title = "Electronic surface error in the Si interstitial
+ formation energy",
+ author = "Ann E. Mattsson and Ryan R. Wixom and Rickard
+ Armiento",
+ journal = "Phys. Rev. B",
+ volume = "77",
+ number = "15",
+ pages = "155211",
+ numpages = "7",
+ year = "2008",
+ month = apr,
+ doi = "10.1103/PhysRevB.77.155211",
+ publisher = "American Physical Society",
+ notes = "si self interstitial formation energies by dft",
+}
+
@Article{goedecker02,
title = "A Fourfold Coordinated Point Defect in Silicon",
author = "Stefan Goedecker and Thierry Deutsch and Luc Billard",
notes = "substitutional c in si by mbe",
}
+@Article{born27,
+ author = "M. Born and R. Oppenheimer",
+ title = "Zur Quantentheorie der Molekeln",
+ journal = "Annalen der Physik",
+ volume = "389",
+ number = "20",
+ publisher = "WILEY-VCH Verlag",
+ ISSN = "1521-3889",
+ URL = "http://dx.doi.org/10.1002/andp.19273892002",
+ doi = "10.1002/andp.19273892002",
+ pages = "457--484",
+ year = "1927",
+}
+
@Article{hohenberg64,
title = "Inhomogeneous Electron Gas",
author = "P. Hohenberg and W. Kohn",
notes = "density functional theory, dft",
}
+@Article{thomas27,
+ title = "The calculation of atomic fields",
+ author = "L. H. Thomas",
+ journal = "Mathematical Proceedings of the Cambridge
+ Philosophical Society",
+ volume = "23",
+ pages = "542--548",
+ year = "1927",
+ doi = "10.1017/S0305004100011683",
+}
+
+@Article{fermi27,
+ title = "",
+ author = "E. Fermi",
+ journal = "Atti Accad. Naz. Lincei, Cl. Sci. Fis. Mat. Nat.
+ Rend.",
+ volume = "6",
+ pages = "602",
+ year = "1927",
+}
+
+@Article{hartree28,
+ title = "The Wave Mechanics of an Atom with a Non-Coulomb
+ Central Field. Part {I}. Theory and Methods",
+ author = "D. R. Hartree",
+ journal = "Mathematical Proceedings of the Cambridge
+ Philosophical Society",
+ volume = "24",
+ pages = "89--110",
+ year = "1928",
+ doi = "10.1017/S0305004100011919",
+}
+
+@Article{slater29,
+ title = "The Theory of Complex Spectra",
+ author = "J. C. Slater",
+ journal = "Phys. Rev.",
+ volume = "34",
+ number = "10",
+ pages = "1293--1322",
+ numpages = "29",
+ year = "1929",
+ month = nov,
+ doi = "10.1103/PhysRev.34.1293",
+ publisher = "American Physical Society",
+}
+
@Article{kohn65,
title = "Self-Consistent Equations Including Exchange and
Correlation Effects",
notes = "dft, exchange and correlation",
}
+@Article{kohn96,
+ title = "Density Functional and Density Matrix Method Scaling
+ Linearly with the Number of Atoms",
+ author = "W. Kohn",
+ journal = "Phys. Rev. Lett.",
+ volume = "76",
+ number = "17",
+ pages = "3168--3171",
+ numpages = "3",
+ year = "1996",
+ month = apr,
+ doi = "10.1103/PhysRevLett.76.3168",
+ publisher = "American Physical Society",
+}
+
+@Article{kohn98,
+ title = "Edge Electron Gas",
+ author = "Walter Kohn and Ann E. Mattsson",
+ journal = "Phys. Rev. Lett.",
+ volume = "81",
+ number = "16",
+ pages = "3487--3490",
+ numpages = "3",
+ year = "1998",
+ month = oct,
+ doi = "10.1103/PhysRevLett.81.3487",
+ publisher = "American Physical Society",
+}
+
+@Article{kohn99,
+ title = "Nobel Lecture: Electronic structure of matter---wave
+ functions and density functionals",
+ author = "W. Kohn",
+ journal = "Rev. Mod. Phys.",
+ volume = "71",
+ number = "5",
+ pages = "1253--1266",
+ numpages = "13",
+ year = "1999",
+ month = oct,
+ doi = "10.1103/RevModPhys.71.1253",
+ publisher = "American Physical Society",
+}
+
+@Article{levy82,
+ title = "Electron densities in search of Hamiltonians",
+ author = "Mel Levy",
+ journal = "Phys. Rev. A",
+ volume = "26",
+ number = "3",
+ pages = "1200--1208",
+ numpages = "8",
+ year = "1982",
+ month = sep,
+ doi = "10.1103/PhysRevA.26.1200",
+ publisher = "American Physical Society",
+}
+
@Article{ruecker94,
title = "Strain-stabilized highly concentrated pseudomorphic
$Si1-x$$Cx$ layers in Si",
notes = "vasp pseudopotentials",
}
+@Article{ceperley80,
+ title = "Ground State of the Electron Gas by a Stochastic
+ Method",
+ author = "D. M. Ceperley and B. J. Alder",
+ journal = "Phys. Rev. Lett.",
+ volume = "45",
+ number = "7",
+ pages = "566--569",
+ numpages = "3",
+ year = "1980",
+ month = aug,
+ doi = "10.1103/PhysRevLett.45.566",
+ publisher = "American Physical Society",
+}
+
+@Article{perdew81,
+ title = "Self-interaction correction to density-functional
+ approximations for many-electron systems",
+ author = "J. P. Perdew and Alex Zunger",
+ journal = "Phys. Rev. B",
+ volume = "23",
+ number = "10",
+ pages = "5048--5079",
+ numpages = "31",
+ year = "1981",
+ month = may,
+ doi = "10.1103/PhysRevB.23.5048",
+ publisher = "American Physical Society",
+}
+
@Article{perdew86,
title = "Accurate and simple density functional for the
electronic exchange energy: Generalized gradient