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).