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TCM Publications in 1997

(Revised 17th February 1998)

  • A.ALTLAND, C.R. OFFER and B.D. SIMONS "Quantum Chaos: Lessons from Disordered Metals" Proc. 1997 Summer School on Disordered Systems and Quantum Chaose ed. I.V. Lerner (1997).
  • I.V. ABARENKOV, V.L. BULATOV, R. GODBY, V. HEINE, M.C. PAYNE, P.A. SOUCHKO, A.V. TITOV and I. TUPITSYN "Electronic structure multiconfiugration calculation of a small cluster embedded in an LDA host" Phys. Rev. B 56, 1743-1750 (1997).
  • O. AGAM, A.V. ANDREEV and B.D. SIMONS "Quantum Chaos: A Field Theory Approach" Chaos, Solitons and Fractals 8, 1099-1129 (1997).
  • A.A. AL-FALOU, H. LARRALDE and R.C. BALL "Effect of T-Stresses on the Path of a Three-Dimensional Crack Propagating Quasistatically Under Type I Loading" accepted Internat. J. of Solids and Structures 34, 569-580 (1997).
  • A. ALTLAND and J BARTH "Persistant Currents in High Dimensions" sub to J. Phys: Condens. Matter 9, 8257-8274 (1997).
  • A. ALTLAND and M.R. ZIRNBAUER "Nonstandard symmetry classes in mesoscopic normal superconducting hybrid structures" Phys. Rev. B. 55, 1142-1161 (1997)
  • R.H. AUSTIN, J.P. BRODY, E.C. COX, T. DUKE and W. VOLKMUTH "Stretch Genes" Physics Today 50, 32 (1997).=20
  • R.C. BALL, P.T. CALLAGHAN and E.T. SAMULSKI "A simplified approach to the interpretation of nuclear spin correlations in entangled polymeric liquids" J. Chem. Phys. 106, 7352-7361 (1997).
  • R.C. BALL and J.R. MELROSE "A simulation technique for many spheres in quasi-static motion under frame-invariant pair drag and Brownian forces" Physica A 247, 444-472 (1997).
  • O.F. BANDTLOW, I. ANTONIOU and Z. SUCHANECKI "Resonances of Dynamical Systems and Fredholm-Riesz Operators on Rigged Hilbert Spaces" Computers & Mathematics with Applications 34, 95-102 (1997).
  • J. BARTH and A. ALTLAND "Persistent currents in high dimensions" J. Phys. Condens. Matter 9, 8257-8274 (1997).
  • R. BROCKBANK, J.M. HUNTLEY and R.C. BALL "contact force distribution beneath a three-dimensional granular pile" J. de. Physique II 7, 1521-1532 (1997).
  • F.M. BUFLER, P. GRAF, B. MEINERZHAGEN, B. ADELINE, M.M. RIEGER, H. KIBBEL, AND G. FISCHER "Low and High-Field Electron-Transport Parameters for Unstrained and Strained Si(1-x)Ge(x) Alloys" IEEE Electron Device Letters 18, 264-266 (1997).
  • F.M. BUFLER, P. GRAF, B. MEINERZHAGEN, B. ADELINE, M. M. RIEGER, H. KIBBEL, AND G. FISCHER "Analysis of Electron Transport Properties in Unstrained and Strained Si(1-x)Ge(x) Alloys" IEEE Trans. Semicond. Technol. Modeling and Simulation 1 (1997).
  • D.G. CLARKE and S.P. STRONG "New Evidence for "Confinement" in Weakly Coupled Luttinger Liquids" J. Phy. Condens. Matter 9, 3853-3860 (1997
  • D.G. CLARKE and S.P. STRONG "Confined Coherence in Strongly Correlated, Anisotropic Metals" Advances in Physics 46, 545-650 (1997).
  • P.V. COVENEY and K.E. NOVIK "Using dissipative particle dynamics to model 2D binary immiscible fluids" Internat. J. Modern Physics C. 8, 909-918 (1997).=20
  • P.V. COVENEY and K.E. NOVIK "Computer simulations of domain growth and phase separation two-dimensional binary immiscible fluids using dissipative particle dynamics" Phys. Rev. E 55, 4831 (1997)
  • M.T. DOVE, M.J. HARRIS, A.C. HANNON, J.M. PARKER, I.P. SWAINSON and M. GAMBHIR "Floppy modes in crystalline and amorphous silicates" Phys. Rev Letters 78, 1070-1073 (1997).
  • T. DUKE and R.H. AUSTIN "Microchips for Sorting DNA " Physics. of Biological Systems: From Molecules to Species eds H. Flyvbjerg et al, pp 11-25 Springer (1997).
  • T. DUKE, G. MONNELLY, R.H. AUSTIN and E.C. COX "Sequencing in nanofabricated arrays: A feasibility study" Electrophoresis 18, 17 (1997).
  • T. EMIG, K. SAMOKHIN and S. SCHEIDL "Charge Modulation at the surface of High-Tc Superconductors" Phys. Rev. B 56, 8386-8395 (1997).
  • B. FARID "Self-consistent density-functional approach to the correlated ground states, and an unrestricted many-body perturbation theory" Phil. Mag. B. 76, 145-192 (1997).
  • R.S. FARR, J. MELROSE and R.C. BALL "Kinetic theory of jamming in hard-sphere startup flows" Phys. Rev.E. .55, 7203-7211 (1997).
  • R. FAZIO and F.W.J. HEKKING "Properties of Superconductor-Luttinger Liquid Hybrid Systems" Il Nuovo Cimento D 19, 1335 (1997).
  • T.M. FINK and R.C. BALL "Robustness and Efficiency in Inverse Protein Folding" Physica D 107, 199-203 (1997).
  • H. FINKELMANN, I. KUNDLER, E.M. TERENTJEV and M. WARNER "Critical Stripe Domain Instability of Nematic Elastomers" J. de Physique II, 7, 1059-1069 (1997).
  • W.M.C. FOULKES, M. NEKOVEE, R.Q. HOOD, M.Y. CHOU, R.J. NEEDS, G. RAJAGOPAL and A.J. WILLIAMSON "Quantum Monte Carlo studies of exchange and correlation in solids" Abstracts of papers of the American Chemical Society 213, 125 (1997).
  • R.L. FU, J.H. CHU, L.M. LEE, H. ZHAO, L. LI and X.SUN "The infrared vibrational modes of bipolaron in semiconducting polymers" Proc.The 8th International Conference on Narrow Gap Semiconductors April, 1997 (Publisher World Scientific Publishing Co.)
  • J.D. GALE, R. SHAH, M.C. PAYNE and I.STICH "Methanol in microporous materials from first principles" Abstracts of Papers of the Amercian Chemical Society 213, 20 (1997)s
  • M. GAMBHIR, V. HEINE and M.T. DOVE "A one-parameter model of a rigid-unit structure" Phase Transitions 61, 125-139 (1997).
  • Q. GE, P. HU, D.A. KING, M.-H. LEE, J.A. WHITE and M.C.PAYNE "Site symmetry dependence of repulsive interactions between chemisorbed oxygen atoms on Pt-(1x1)" J. Chem. Phys. 106, 1210-1215 (1997).
  • C.M. GORINGE, L.J. CLARK, M.-H. LEE, M.C. PAYNE, I. STICH, J.A. WHITE, M.J. GILLAN and A.P. SUTTON " The GaAs(001)-(2x4) surface: structure, chemistry and adsorbates" J. Phys. Chem. B 101, 1498-1509 (1997).
  • F. GRECO and R.C. BALL "Shear-band formation in a Non-Newtonian Fluid Model with a Constitutive Instability" J. of Non-Newtononian Fluid Mechanics 69, 195-206 (1997).
  • K.D. HAMMONDS, H. DENG, V. HEINE and M.T. DOVE "How floppy modes give rise to adsorption sites in zeolites" Phys. Rev. Letters 78, 3701-3704 (1997).
  • K.D. HAMMONDS, V. HEINE and M.T. DOVE "Insights into Zeolite Behaviour from the Rigid Unit Mode Model" Phase Transitions 61, 155-172 (1997).
  • R. HAYDOCK and V. HEINE "Perspectives on tight binding, generalised functionals and linear scaling" Comments on Condensed Matter Physics 18, 83-90 (1997).
  • P.D. HAYNES and M.C. PAYNE " Localised spherical-wave basis set for O(N) total-energy pseudopotential calculations" Computer Physics Communications 102, 17-27 (1997).
  • K. HECKER, H. HEGGER. A. ALTLAND and K. FIEGLE "Conductance Fluctuations in Mesoscopic Normal Metal/Superconductor Samples" Phys. Rev. Letters 79, 1547-1550 (1997).
  • V. HEINE "The role of computer experiments in mineralogy: an introduction to the first Kiel workshop on the application of computer simulation to mineralogy" 1st Kiel Workshops: Lecture Notes and Abstracts, B. Winkler ed., Kiel University (1997).
  • V. HEINE, M.T. DOVE, A. DEVITA, J. ORTEGA and E. MYERS "Computational study of Si/Al ordering in aluminosilicate tetrahedral framework structures" Phase Transitions 61, 51-66 (1997).
  • F.W.J. HEKKING and L.I. GLAZMAN "Quantum Fluctuations in the equilibrium state of a thin superconducting loop" Phys. Rev. B. 55, 6551-6558 (1997).
  • R.Q. HOOD, M.Y. CHOU, A.J. WILLIAMSON, G. RAJAGOPAL, R.J. NEEDS and W.M.C. FOULKES "Quantum Monte Carlo Investigation of Exchange and Correlation in Silicon" Phys. Rev. Letters 78, 3350-3353 (1997).
  • P. HU, D.A. KING, S. CRAMPIN, M.-H.LEE and M.C. PAYNE "Ab initio Diffusional Potential Energy Surface for CO Chemisorption on Pd(110) at High Coverage: coupled translation and rotation" J. Chem. Phys. 107, 8103-8109 (1997).=20
  • M.R. JARVIS, I.D. WHITE, R.W. GODBY and M.C. "Supercell technique for total-energy calculations of finite charged and polar systems" Phys. Rev. B 56, 14972-14978 (1997).
  • B.D. JOSEPHSON "What is music a language for?" in Brain, Mind and Physics, P.Pylkk?nen, P.Pylkk? and A. Hautamaki eds, Pub IOS Press, Oxford and Amsterdam, 262-265 (1997),
  • B.D. JOSEPHSON "Skeptics cornered" Physics World 10(9), 20 (1997).
  • M.M. KHIMASIA and P. COVENEY "Protein Structure Prediction as a hard optimization problem: the genetic algorithm approach" Molecular Simulations 19, 205-226 (1997).
  • D.E. KHMELNITSKII "Frenkel through his Son's Eyes" Physics World N1, 45 (1997).
  • M.-H. LEE, C.-F. CHENG, V. HEINE and J. KLINOWSKI "Distribution of Tetrahedral and Octahedral Al Sites in Gamma Alumina" Chem. Phys. Letters 265, 673-676 (1997).=20
  • J.D.C. MCCONNEL, A. DE VITA, S.D. KENNY and V. HEINE "Determination of the Origin and Magnitude of Al/Si Ordering Enthalpy in Framework Aluminosilicates from Ab Initio Calculations" Phys. Chem. Minerals 25, 15-23 (1997).
  • Y. MAO, M.E. CATES and H.N.W. LEKKERKERKER "Theory of the depletion force due to rodlike polymers" J. Chem. Phys. 106, 3721-3729 (1997).
  • Y. MAO, P. BLADON, H.N.W. LEKKERKERKER and M.E. CATES "Density Profiles and Thermodynamics of Rod-like Particles between Parallel Walls" Molecular Phys. 92, 151-159 (1997).
  • N. MARZARI, D. VANDERBILT and M.C. PAYNE " Ensemble Density-Functional Theory for Ab Initio Molecular Dynamics of Metals and Finite-Temperature Insulators" Phys. Rev. Letters 79, 1337-1340 (1997).
  • C.MOLTENI, N. MARZARI, M.C. PAYNE and V. HEINE "Sliding mechanisms in aluminium grain boundaries" Phys. Rev. Letters 79 869-872 (1997).
  • I. MORRISON, J.-C. LI, S. JENKINS, S.S. XANTHEAS and M.C. PAYNE "Ab-Initio total Energy Studies of the Static and Dynamical Properties of Ice Ih" Phys. Chem. B. 101, 5146-6150 (1997).
  • I. MORRISON, J.-C. LI, S. JENKINS, S.S. XANTHEAS and M.C. PAYNE "Ab-Initio Total Energy Studies of the Static and Dynbamical Properties of Ice Ih." J. Phys. Chem. B 101, 6146-6150 (1997).
  • MUJICA and R.J. NEEDS "Theoretical study of the high pressure phase stability of GaP, InP, and InAs" Phys. Rev. B. 55, 9659-9670 (1997).
  • B.A. MUZYKANTSKII and D.E. KHMELNITSKII "Long-time Trapping of an electron in a One-dimensional Disordered Chain" Phys. Reports 288, 259 (1997).
  • R.J. NEEDS and G. RAJAGOPAL "First-principles calculations of the adsorbate-induced surface stress of K/Al(111)-(=C33x=C33)R30=FB." Surface Science 372, 179 - 184 (1997).
  • M. NEKOVEE, W.M.C. FOULKES, A.J. WILLIAMSON, G. RAJAGOPAL and R.J. NEEDS "A quantum Monte Carlo approach to the adiabatic connection method" Advances in Quantum Chemistry, Thematic Volume on DFT, edited by J.M. Seminario (1997).
  • K.E. NOVIK and P.V. COVENEY "Using dissipative particle dynamics to model binary immiscible fluids" International Journal of Modern Physics C: Physics and Computers 8, 909-918 (1997).
  • M.C. PAYNE "The Future of the Total Energy Pseudopotential Technique and its Application to Minerals" Phase Transitions 61, 41-49 (1997).
  • R.PEREZ, M.C. PAYNE, I. STICH and K. TERAKURA "Role of Covalent Tip-Surface Interactions in Non-contact AFM on Reactive Surfaces" Phys. Rev. Letters 78, 678-681 (1997).=20
  • M.I.J. PROBERT and A.J. FISHER "Ab initio studies of muons in ethanal" J. Phys. Condens. Matter 9, 3241-3257 (1997).
  • M.I.J. PROBERT and A.J. FISHER "Ab initio studies of magnetism in the organic radical p-NPNN" J. Phys. Condens. Matter 9, 3635-3645 (1997).
  • A.K.A. PRYDE, K.D. HAMMONDS, M.T. DOVE, V. HEINE, J.D. GALE and M.C. WARREN "Rigid Unit Modes and the Negative Thermal Expansion in ZrW2O8" Phase Transitions 61, 141-153 (1997).
  • M.J. RUTTER AND V. HEINE "Phonon Free Energy and Devil's Staircases in the Origin of Polytypes" J. Phys. Condens. Matter 9, 2009-2024 (1997).
  • M.J. RUTTER and V. HEINE "Energetics of stacking boundaries on the {0001} surfaces of silicon carbide." J. Phys. Condens. Matter 9, 8213-8220 (1997).
  • A. SCHINDLMAYR "Violation of particle number conservation in the GW approximation" Phys. Rev. B 56, 3528-3531 (1997).
  • A. SCHINDLMAYR "Excitons with anisotropic effective mass" Eur. J. Phys. 18, 374-376 (1997).
  • A. SCHOFIELD "Bosonization in the two-channel Kondo model" Phys. Rev. B 55, 5627-5630 (1997).
  • P. SENS, M.S. TURNER and P. PINCUS "Particulate inclusions in lamellar phase" Phys. Rev E. 55, 4394-4405 (1997).
  • R. SHAH, J.D. GALE and M.C. PAYNE "Comparing the acidities of zeolites and SAPOs from first principles" Chemical Communications 1, 131-132 (1997).
  • R. SHAH, J.D. GALE and M.C. PAYNE "Acid-base catalysis in zeolites from first principles" Int. J. of Quantum Chemistry 61, 393-398 (1997).
  • R. SHAH, J.D. GALE and M.C. PAYNE "An in situ study of reactive intermediates of methanol in zeolites from first principles calculations", J. Phys. Chem.B 101, 4787-4797 (1997).
  • R. SHAH, J.D. GALE and M.C. PAYNE "The active sites of microporous solid acid catalysts" Phase Transitions 61, 67-81 (1997).
  • L.E. SILBERT, J.R. MELROSE and R.C. BALL "Colloidal microdynamics: Pair-drag simulations of model-concentrated aggregated systems" Phys. Rev. E 56, 7067-7077 (1997).
  • B.D. SIMONS, O. AGAM and A.V. ANDREEV "Time Reversal Symmetry Breaking and the Field theory of Quantum Chaos" J. Math. Phys 38, 1982-2006 (1997).
  • V. SRIVASTAVA "Integer Quantum Hall on Abacus" in International Journal of Quantum Chemistry (special volume dedicated to Jean-Louis Calais) 63, 99-104 (1997).
  • J.P.D. TARAS-SEMCHUK, J.M. WHEATLEY and A.J. SCHOFIELD "A Hall effect without well-defined quasiparticles" Zeitschrift fur Physik B 103, 161-164 (1997).=20
  • E.M. TERENTJEV and M. WARNER Comment on "Director Reorientation in Nematic Single Crystal Elastomers by External Mechanical Street" Europhys. Letters 37, 495 (1997).
  • D.I. THOMSON, V. HEINE, M.W. FINNIS and N. MARZARI "Ab-initio computational study of Ga in an Al grain boundary" Phil. Mag. Letters 76, 281-287 (1997).
  • M.S. TURNER and P. SENS "Interactions between particulate inclusions in a Smectic-A liquid crystal" Phys. Rev. E 55, 1275-1278 (1997).
  • G.C. VERWEY and M. WARNER "Compositional Fluctuations and Semi-Softness in Nematic Elastomers" Macromolecules 30, 4189-4195 (1997).
  • G.C. VERWEY and M. WARNER "Nematic Elastomers Crosslinked by Rigid Rod Linkers" Macromolecules 30, 4196-4204 (1997).
  • X.-J. WANG and M. WARNER "The Swelling of Nematic Elastomers by Nematogenic Solvents" Macromolecular Theory and Simulation 6, 37 - 52 (1997).
  • M. WARNER, P.T. CALLAGHAN and E.T. SAMULSKI "NMR Line Shape of Gaussian Elastomers" Macromolecules 30, 4733-4736 (1997).
  • A.J. WILLIAMSON, G. RAJAGOPAL, R.J. NEEDS, L.M. FRASER, W.M.C. FOULKES, Y. WANG and M.-Y. CHOU "Elimination of Coulomb finite size effects in quantum many-body simulations" Phys. Rev. B.55, 4851-4854 (1997).
  • W.-S. ZENG, V. HEINE and O. JEPSEN "The structure of barium in the hexagonal close-packed phase under high pressure" J. Phys. Condens. Matter 9, 3489-3502 (1997).

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