• Wiley Online Library will be disrupted on 26 May from 10:00-12:00 BST (05:00-07:00 EDT) for essential maintenance

physica status solidi (b)

Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Cover image for physica status solidi (b)

January 2000

Volume 217, Issue 1

Pages 9–722

    1. Choosing Models for Solids (pages 9–21)

      P. Deák

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<9::AID-PSSB9>3.0.CO;2-6

    2. The Art and Science of an Analytic Potential (pages 23–40)

      D.W. Brenner

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<23::AID-PSSB23>3.0.CO;2-N

    3. A Self-Consistent Charge Density-Functional Based Tight-Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology (pages 41–62)

      Th. Frauenheim, G. Seifert, M. Elsterner, Z. Hajnal, G. Jungnickel, D. Porezag, S. Suhai and R. Scholz

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<41::AID-PSSB41>3.0.CO;2-V

    4. The Periodic Hartree-Fock Method and Its Implementation in the Crystal Code (pages 63–88)

      R. Dovesi, R. Orlando, C. Roetti, C. Pisani and V.R. Saunders

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<63::AID-PSSB63>3.0.CO;2-F

    5. An Introduction to the Third-Generation LMTO Method (pages 89–130)

      R.W. Tank and C. Arcangeli

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<89::AID-PSSB89>3.0.CO;2-C

    6. LDA Calculations Using a Basis of Gaussian Orbitals (pages 131–171)

      P.R. Briddon and R. Jones

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<131::AID-PSSB131>3.0.CO;2-M

    7. Electronic Structure Methods for Predicting the Properties of Materials: Grids in Space (pages 173–195)

      J.R. Chelikowsky, Y. Saad, S. Öğüt, I. Vasiliev and A. Stathopoulos

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<173::AID-PSSB173>3.0.CO;2-Z

    8. Strategies for Massively Parallel Local-Orbital-Based Electronic Structure Methods (pages 197–218)

      M.R. Pederson, D.V. Porezag, J. Kortus and D.C. Patton

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<197::AID-PSSB197>3.0.CO;2-B

    9. The Accuracy of the Pseudopotential Approximation within Density-Functional Theory (pages 219–230)

      D. Porezag, M.R. Pederson and A.Y. Liu

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<219::AID-PSSB219>3.0.CO;2-V

    10. Large-Scale Electronic Structure Calculations Using Linear Scaling Methods (pages 231–249)

      G. Galli

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<231::AID-PSSB231>3.0.CO;2-I

    11. Concurrent Coupling of Length Scales in Solid State Systems (pages 251–291)

      R.E. Rudd and J.Q. Broughton

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<251::AID-PSSB251>3.0.CO;2-A

    12. Electric Fields in Electronic Structure Calculations: Electric Polarizabilities and IR and Raman Spectra from First Principles (pages 293–310)

      K. Jackson

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<293::AID-PSSB293>3.0.CO;2-N

    13. Ab initio Monte Carlo Investigations of Small Lithium Clusters (pages 311–322)

      S. Srinivas and J. Jellinek

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<311::AID-PSSB311>3.0.CO;2-M

    14. Structure and Isomerization in Alkali Halide Clusters (pages 323–334)

      C. Ashman, S.N. Khanna and M.R. Pederson

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<323::AID-PSSB323>3.0.CO;2-A

    15. Linear Scaling ab initio Calculations in Nanoscale Materials with SIESTA (pages 335–356)

      Pablo Ordejón

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<335::AID-PSSB335>3.0.CO;2-Z

    16. A Self-Consistent Charge Density-Functional Based Tight-Binding Scheme for Large Biomolecules (pages 357–376)

      M. Elstner, Th. Frauenheim, E. Kaxiras, G. Seifert and S. Suhai

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<357::AID-PSSB357>3.0.CO;2-J

    17. First-Principles Calculations of α-Alumina (0001) Surfaces Energies with and without Hydrogen (pages 377–387)

      P.D. Tepesch and A.A. Quong

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<377::AID-PSSB377>3.0.CO;2-B

    18. Ab initio Molecular Dynamics Simulations of Reactions at Surfaces (pages 389–404)

      A. Gross

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<389::AID-PSSB389>3.0.CO;2-#

    19. Metal Surfaces: Surface, Step and Kink Formation Energies (pages 405–418)

      J. Kollár, L. Vitos, B. Johansson and H.L. Skriver

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<405::AID-PSSB405>3.0.CO;2-6

    20. Linear-Response Studies of the Electron–Phonon Interaction in Metals (pages 419–428)

      A.Y. Liu

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<419::AID-PSSB419>3.0.CO;2-N

    21. Modelling Carbon for Industry: Radiolytic Oxidation (pages 429–447)

      P. Leary, C.P. Ewels, M.I. Heggie, R. Jones and P.R. Briddon

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<429::AID-PSSB429>3.0.CO;2-J

    22. Calculation of Electronic States in Semiconductor Heterostructures with an Empirical spds* Tight-Binding Model (pages 449–460)

      R. Scholz, J.-M. Jancu, F. Beltram and F. Bassani

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<449::AID-PSSB449>3.0.CO;2-B

    23. Constant-Pressure Molecular Dynamics of Amorphous Si (pages 461–471)

      H.M. Urbassek and P. Klein

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<461::AID-PSSB461>3.0.CO;2-Z

    24. Structures, Energetics and Electronic Properties of Complex III—V Semiconductor Systems (pages 473–511)

      M. Haugk, J. Elsner, Th. Frauenheim, T.E.M. Staab, C.D. Latham, R. Jones, H.S. Leipner, T. Heine, G. Seifert and M. Sternberg

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<473::AID-PSSB473>3.0.CO;2-N

    25. Structure and Dynamics of Point Defects in Crystalline Silicon (pages 513–532)

      S.K. Estreicher

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<513::AID-PSSB513>3.0.CO;2-6

    26. Superhard Materials (pages 533–543)

      J.E. Lowther

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<533::AID-PSSB533>3.0.CO;2-Z

    27. Modeling Brittle and Ductile Behavior of Solids from First-Principles Calculations (pages 545–564)

      U.V. Waghmare, E. Kaxiras and M.S. Duesbery

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<545::AID-PSSB545>3.0.CO;2-N

    28. Comparison of Simulation Methods for Organic Molecular Systems: Porphyrin Stacks (pages 565–575)

      F. Della Sala, J. Widany and Th. Frauenheim

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<565::AID-PSSB565>3.0.CO;2-F

    29. Quantum Mechanical Investigations on the Insertion Compounds of Early Transition Metal Oxides (pages 577–598)

      F. Corà and C.R.A. Catlow

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<577::AID-PSSB577>3.0.CO;2-3

    30. From Band Structures to Linear and Nonlinear Optical Spectra in Semiconductors (pages 599–640)

      W.R.L. Lambrecht and S.N. Rashkeev

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<599::AID-PSSB599>3.0.CO;2-O

    31. Si Nanoparticles as a Model for Porous Si (pages 641–663)

      M.J. Caldas

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<641::AID-PSSB641>3.0.CO;2-Z

    32. Paramagnetic Defects (pages 665–684)

      U. Gerstmann, M. Amkreutz and H. Overhof

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<665::AID-PSSB665>3.0.CO;2-B

    33. Large-Scale Applications of Real-Space Multigrid Methods to Surfaces, Nanotubes, and Quantum Transport (pages 685–701)

      J. Bernholc, E.L. Briggs, C. Bungaro, M. Buongiorno Nardelli, J.-L. Fattebert, K. Rapcewicz, C. Roland, W.G. Schmidt and Q. Zhao

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<685::AID-PSSB685>3.0.CO;2-3

    34. Semiconductor Nanostructures (pages 703–722)

      A. Di Carlo

      Article first published online: 13 JAN 2000 | DOI: 10.1002/(SICI)1521-3951(200001)217:1<703::AID-PSSB703>3.0.CO;2-2

SEARCH

SEARCH BY CITATION