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TCM Publications in 2005

  • A.A. ABRIKOSOV, B.L. ALTSHULER, V.G. VAKS, A.A. VARLAMOV, P.B. WIGMAN, L.P. GORKOV, L.I. GLAZMAN, I.E. DZYALOSHINSKII, K.B. EFETOV, L.B. IOFFE, Y.N. OVCHINNIKOV and D.E. KHMELNITSKII "In memory of Anatolli Ivanovich Larkin" Physics-Uspekhi 48, 969-970 (2005).
  • A.A. ABRIKOSOV, A.F. ANDREEV, L.P. GORKOV, V.T. DOLGOPOLOV, S.V. IODANSKII, V.V. KVEDER, I.B. LEVINSON, Y.A. OSSIPYAN, E.I. RASHBA, V.B. TIMOFEEV, D.E. KHMELNITSKII and G.M. ELIASHBERG "Vsevolod Feliksovich Gantmakher (on his seventieth birthday)" Physics-Uspekhi 48, 1197-1198 (2005).
  • J.M. ACTON, M.M. PARISH and B.D. SIMONS “Fermion mediated BCS-BEC crossover in ultracold K-40 gases: Mean-field theory and collective models” Phys. Rev. A 71, 063606 (2005).
  • J.M. ADAMS and M. WARNER “Elasticity of Smetic-A elastomers” Phys. Rev. E 71, 068502 (2005).
  • J.M. ADAMS and M. WARNER “Hairpin rubber elasticity” Eur. Phys. J 16, 97-107 (2005).
  • J.M. ADAMS and M. WARNER “Soft elasticity in smetic elastomers” Phys. Rev. E 72, 011703 (2005).
  • S.E. AHNERT and M.C. PAYNE “General implementation of all possible positive-operator-value measures of single photon polarization states” Phys. Rev. A 71, 012330 (2005).
  • S.E. AHNERT and M.C. PAYNE “Reply to comment on Linear optics implementation of weak values in Hardy’s paradox” Phys. Rev. A 72, 016102 (2005).
  • D. ALFE, M. ALFREDSSON, J. BRODHOLT, M.J. GILLAN, M.D. TOWLER and R.J. NEEDS “Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of Mg0” Phys. Rev. B 72, 014114 (2005).
  • M. BENOIT, M. PROFETA, F. MAURI, C.J. PICKARD and M.E. TUCKERMAN “First-principles calculation of the 0-17 NMR parameters of a calcium aluminosicilate glass” J. Phys. Chem. B 109, 6052-6060 (2005).
  • R.N. BHATT, C.G. ZHOU, M. KENNETT, M. BERCIU and W. XIN “Disorder and frustration in diluted magnetic semiconductors at low carrier densities” Int. J Mod. Phys. B 19, 5-7 (2005).
  • L. BREY and P.B. LITTLEWOOD “Solitonic phase in maganites” Phys. Rev. Letters 95, 117205 (2005).
  • D.J. BURRIDGE, Y.MAO and M. WARNER “Chiral-mechanical transitions in topologically imprinted elastomers” Phys. Rev. E 72, 051718 (2005).
  • M.A. CAZALILLA, N. BARBERAN and N.R. COOPER “Edge excitation and topological order in a rotating Bose gas” Phys. Rev. B 71, 121303 (2005).
  • L.C. CIACCHI and M.C. PAYNE “First-principles molecular-dyanmics study of native oxide growth on Si(001)” Phys. Rev. Letters 95, 196101 (2005).
  • S.J. CLARK, M.D SEGALL, C.J. PICKARD, P.J. HASNIP, M.J. PROBERT, K. REFSON and M. C. PAYNE “First principles using CASTEP” Zeitschrift fur kristallographie 220, 567-570 (2005).
  • V. COCULA, C.J. PICKARD and E.A. CARTER “Ultrasoft spin-dependent pseudopotentials” J. Chem. Phys. 123, 214101 (2005).
  • N.R. COOPER, E.H. REZAYI and S.H. SIMON “Vortex lattices in rotating atomic bose gases with dipolar interactions” Phys. Rev. Letters 95, 200402 (2005).
  • N.R. COOPER, F.J.M. VAN LANKVELT, J.W. REIJNDERS and K. SCHOUTENS “Quantum Hall states of atomic Bose gases: density profiles in single-layer and multi-layer geometries” Phys. Rev. A 72, 063622 (2005).
  • G. CSANYI, T. ALBARET, G. MORAS, M.C. PAYNE and A. DE VITA “Multiscale hybrid simulation methods for material systems” J. Phys. Condens. Mat. 17, R391-R703 (2005).
  • G. CSANYI, P.B. LITTLEWOOD, A. NEVIDOMSKYY, C.J. PICKARD and B.D. SIMONS “Electronic structure of superconducting graphite intercalated compounds: The role of interlayer state” Nature Phys. 1, 42-45 (2005).
  • N.D. DRUMMOND, A.J. WILLIAMSON, R.J. NEEDS and G. GALLI “Electron emission from diamondoids: A diffusion quantum Monte Carlo study” Phys. Rev. Letters 95, 096801 (2005).
  • N.D. DRUMMOND and R.J. NEEDS “Variance-minimization scheme for optimizing Jastrow factors” Phys. Rev. B 72, 085124 (2005).
  • B. FARID “Composite fermions close to the one-half filling of the lowest Landau level revisited” Int. J Mod. Phys B 19, 775-782 (2005).
  • G. GERVAIS, R. DUPREE, K.J. PIKE, C. BONHOMME, M.PROFETA, C.J. PICKARD and F. MAURI “Combined first-principles computational and experimental multinuclear solid-state NMR investigation of amino acids” Phys. Chem. A 109, 6960-6969 (2005).
  • I. GRAHAM and T.A.J. DUKE “Dynamic hysteresis in a one-dimensional Ising model: Application to allosteric proteins” Phys. Rev. E 71, 061923 (2005).
  • I. GRAHAM and T.A.J. DUKE “The logical repertoire of ligand-binding proteins” Physical Biology 2, 159-165 (2005).
  • A.G. GREEN, S.A. GRIGERA, R.A. BORZI, A.P. MACKENZIE, R.S. PERRY and B.D. SIMONS "Phase bifurication and quantum fluctuations in Sr3Ru207" Phys. Rev. Letters 95, 086402 (2005).
  • U. HANTSCH, W. WINKLER, C.J. PICKARD, J.D. GALE, M.C. MILMAN and F. MAURI “Theoretical investigation of moganite” Eur. J Min. 17, 21-30 (2005).
  • R.K. HARRIS, P.Y. GHI, H. PUSCHMANN, D.C. APPERLEY, U.J. GRIESSER, R.B. HAMMOND, C. MA, K.J. ROBERTS, G.J. PEARCE, J.R. YATES and C.J. PICKARD “Structural studies of the polymorphs of Carbamazepine, Its Dihydrate and two solvates” Org. Process Res. DOI 10, 1021/op0500990 (2005).
  • R.T. HART, J.W. ZWANZIGER, U. WERNER-ZWANZIGER and J.R. YATES “On the spectral similarity of bridging and nonbridging oxygen in tellurites” J. Phys. Chem. A 109, 7636-7641 (2005).
  • P.D. HAYNES, A.A. MOSTOFI, C.-K. SKYLARIS and M.C. PAYNE “ONETEP: Linear-scaling density-functional theory with plane waves” Psi-K Newsletter 72, 78-91 (2005).
  • V. HEINE “Electrons navigate disordered media” Phys. World 18, 27-28 (2005).
  • S. HOFFMAN, G. CSANYI, A.C. FERRARI, M.C. PAYNE and J. ROBERTSON “Surface diffusion: The low activation energy path for nanotube growth” Phys. Rev. Letters 95, 036101 (2005).
  • R.L. JACK. D.K.K. LEE and N.R. COOPER “Quantum and classical dissipative effects on tunnelling in Quantum Hall bilayers” Phys. Rev. B 71, 085310 (2005).
  • B. D. JOSEPHSON “Vital resource should be open to all physicists” Nature 433, 800-800 (2005).
  • B.D. JOSEPHSON “General principles for brain design” General principles for brain design. In Dubois, Prof. Daniel M. (Eds.) Proceedings CASYS’05 – Seventh Int. Conf. on Comp. Anticipatory Sys. Liège, Belgium (2005).
  • J. KEELING, P.R. EASTHAM, M.H. SZYMANSKA and P.B. LITTLEWOOD “BCS-BEC crossover in a system of microcavity polaritons” Phys. Rev. B 72, 115320 (2005).
  • M.P. KENNETT, C. CHAMON and L.F. GUGLIANDOLO “Heterogeneous slow dynamics in a two dimensional doped classical antiferromagnet” Phys. Rev. B 72, 024417 (2005).
  • M.P. KENNETT, J.P. ROBINSON, N.R. COOPER and V.I. FAL’KO “Quantum and classical surface-acoustic-wave-induced magnetoresistance oscillations in a two-dimensional electron gas” Phys. Rev. B 71, 195420 (2005).
  • S. KOMINEAS and J. BRAND “Collisions of solitons and vortex rings in cylindrical Bose-Einstein condensates” Phys. Rev. Letters 95, 110401 (2005).
  • S. KOMINEAS, N.R. COOPER and N. PAPANICOLAOU “Single vortex states in a confined Bose-Einstein condensate” Phys. Rev. A 72, 53624 (2005).
  • S. KOMINEAS, C.A.F. VAZ, J.A.C. BLAND and N. PAPANICOLAOU “Bubble domains in disc-shaped ferromagnetic particles” Phys. Rev. B 71, 060405 (2005).
  • L.S. LEVITOV, B.D. SIMONS and L.V. BUTOV “Pattern formation as a signature of quantum degeneracy in a cold exciton system” Phys. Rev. Letters 94, 176404 (2005).
  • L.S. LEVITOV, B.D. SIMONS and L.V. BUTOV “Pattern formation in exciton system near quantum degeneracy” Solid Stat. Comm. 134, 51-57 (2005).
  • Z.S. LIN, A. ORLOV, R.M. LAMBERT and M.C PAYNE “New insights into the origin of visible light photocatalytic activity of nitrogen-doped and oxygen-deficient anatase Ti02” J. Phys. Chem. B 109, 20948-20952 (2005).
  • P.B. LITTLEWOOD and S. KOS “Condensed-matter physics – Focus on the Fermi surface” Nature 438, 435 (2005).
  • Y.L. LOH, V. TRIPATHI and M. TURLAKOV “Effective charging energy for a regular granular metal array” Phys. Rev. B 72, 233404 (2005).
  • Y.L. LOH, V. TRIPATHI and M. TURLAKOV “Magnetic droplets in a metal close to a ferromagnetic quantum critical point” Phys. Rev. B 71, 024429 (2005).
  • J.C. LOUDON, S. COX, A.J. WILLIAMS, J.P. ATTFIELD, P.B. LITTLEWOOD, P.A. MIDGLEY and N.D. MATHUR “Weak charge-lattice coupling requires reinterpretation of stripes of charge order in La1-xCaxMn03” Phys. Rev. Letters 94, 097202 (2005).
  • B. LUKIC, J.W. SEO, E. COUTEAU, K. LEE, S. GRADECAK, R. BERKECZ, K. HERNADI, S. DELPEUX, T. CACCIAGUERRA, F. BEGUIN, A. FONSECA, J.B. NAGY, G. CSANYI, A. KIS, A.J. KULIK and L. FORRO “Elastic modulus of mulit-walled carbon nanotubes produced by catalytic chemical vapour deposition” Appl. Phys. A-Mats. Sci. & Procs. 80, 695-700 (20050.
  • A. MA, N.D DRUMMOND, M.D. TOWLER and R.J. NEEDS “All-electron Quantum Monte Carlo calculations for the noble gas atoms He to Xe” Phys. Rev. E 71, 066704 (2005).
  • A. MA, M.D. TOWLER, N.D. DRUMMOND and R.J. NEEDS “Scheme for adding electron-nucleus cusps to Gaussian orbitals” J. of Chem. Phys. 122, 224322 (2005)
  • F.M. MARCHETTI, M.H. SZYMANSKA, P.R. EASTHAM, B.D. SIMONS and P.B. LITTLEWOOD “Condensation and lasing of microcavity polaritons: comparison between two models” Sol. Stat. Comm. 134, 111-115 (2005).
  • B. MIHAILA, S. GAUDIO, K.B. BLAGOEV, AV. BALATSKY, P.B. LITTLEWOOD and D.L. SMITH “Density and spin response functions in ultracold fermionic atom gases” Phys. Rev. Letters 95, 090402-1-09002-4 (2005).
  • G.C. MILWARD, M.J. CALDERON and P.B. LITTLEWOOD “Electronically soft phases in manganites” Nature 433, 607 (2005).
  • E.E. MOORE, W. BARFORD and R.J. BURSILL “Relaxation energies and excited-state structures of poly(paraphenylene)” Phys. Rev. B 71, 115107 (2005).
  • M.V. MOSTOVOY, F.M. MARCHETTI, B.D. SIMONS and P.B. LITTLEWOOD “Effects of disorder on coexistence and competition between superconducting and insulating states” Phys. Rev. B 71, 224502 (2005).
  • A.H. NEVIDOMSKYY “Coexistence of ferromagnetism and superconductivity close to a Quantum phase transition: The Heisenberg-to-Ising-type crossover” Phys. Rev. Letters 94, 097003 (2005).
  • N. PAPANICOLAOU, S. KOMINEAS and N.R. COOPER “Virial theorems for vortex states in a confined Bose-Einstein condensate” Phys. Rev. A. 72, 053609 (2005).
  • M.M. PARISH and P.B. LITTLEWOOD “Classical magnetotransport of inhomogeneous conductors” Phys. Rev. B 72, 094417 (2005).
  • M.M. PARISH, B. MIHAILA, B.D. SIMONS and P.B. LITLEWOOD “Fermion-mediated BCS-BEC crossover in ultracold K-40 gases” Phys. Rev. Letters 94, 240402 (2005).
  • M.M. PARISH, B. MIHAILA, E.M. TIMMERMANS, K.B. BLAGOEV and P.B. LITTLEWOOD “BCS-BEC crossover with a finite-range interaction” Phys. Rev. B 71, 064513 (2005).
  • S. PATCHKOVSKII, R.T. STRONG, C.J. PICKARD and S. UN “Gauge invariance of the spin-other-orbit contribution to the g-tensors of electron paramagnetic resonance” J. Chem. Phys. 122, 214101 (2005).
  • M.C. PAYNE, G. CSANYI and A. DE VITA “Hybrid modelling of materials processes” Handbook of Materials Modelling, Vol. 1: Methods and Models. S. Yip (Ed.) (2005).
  • M.C. PAYNE, G. CSANYI, T. ALBARET and A. DE VITA “A novel quantum/classical hybrid simulation technique” Chem. Phys. Chem 6. 1731-1734 (2005).
  • E.H. REZAYI, N. READ and N.R. COOPER “Incompressible liquid state of rapidly-rotating bosons at filling factor 3/2” Phys. Rev. Letters 95, 160404 (2005).
  • A. ROCKENBAUER, G. CSANYI, F. FULOP, S. GARAJ, L. KORECZ, R. LUKACS, F. SIMON, L. FURRO, S. PEKKER and A. JANOSSY “Electron delocalization and dimerization in solid C59N-doped C60 fullerine” Phys. Rev. Letters 94, 066603 (2005).
  • S. ROSSANO, F. MAURI, C.J. PICKARD and I. FARNAN “First-principles calculation of O-17 and Mg-25 NMR shieldings in Mg0 at finite temperature: Rovibrational effect in solids” J. Phys. Chem. B 109, 7245-7250 (2005).
  • C.K. SKYLARIS, P.D. HAYNES, A.A. MOSTOFI and M.C. PAYNE “Introducing ONETEP: Linear-scaling density functional simulations on parallel computers” J. Chem. Phys. 122, 084119 (2005).
  • C.K. SKYLARIS, P.D. HAYNES, A.A. MOSTOFI and M.C. PAYNE “Using ONETEP for accurate and efficient O (N) density functional calculations” J. Phys. Condens. Mat. 17, 5757-5769 (2005).
  • M.H. SZYMANSKA, K. GORAL, T. KOHLER and K. BURNETT “Conventional character of the BCS-BEC crossover in ultracold gases K40” Phys. Rev. A 72, 013610 (2005).
  • M.H. SZYMANSKA, B.D. SIMONS and K. BURNETT “Dynamics of the BCS-BEC crossover in a degenerate Fermi gas” Phys. Rev. Letters 94, 170402 (2005).
  • M.Y.J. TAN, N.D. DRUMMOND and R.J. NEEDS “Exciton and biexciton energies in bilayer systems” Phys. Rev. B 71, 033303 (2005).
  • J.R. TRAIL and R.J. NEEDS “Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behaviour” J. Chem. Phys. 122, 014112 (2005).
  • J.R. TRAIL and R.J. NEEDS “Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to Hg” J. Chem. Phys. 122, 174109 (2005).
  • V. TRIPATHI, P. CHANDRA and P. COLEMAN “Itinerancy and hidden order in URu2Si2” J. Phys. Condens. Mat. 17, 5285 (2005).
  • J.R. YATES, S.E. DOBBINS, C.J. PICKARD, F. MAURI, P.Y. GHI and R.K. HARRIS “A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen” J. Chem. Phys. 7, 1402-1407 (2005).
  • J.R. YATES, T.N. PHAM, C.J. PICKARD, F. MAURI, A.M. AMADO, A.M. GIL and S.P. BROWN “An investigation of weak CH-O hydrogen bonds in maltose Anomers by a combination of calculation and experimental solid-state NMR spectroscopy” J. of American. Chem. Soc. 127, 10216-10220 (2005).

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