This volume is a status report based on the presentations and discussions that took place during the 12th Annual Workshop on Computer Simulation Studies in Condensed Matter Physics at the Center for Simulation Physics at the University of Georgia in March 1999. It provides a broad overview of the most recent developments in the field, spanning a wide range of topical areas in simulational condensed matter physics. These areas include recent developments in simulations of classical statistical mechanics models, electronic structure calculations, quantum Monte Carlo simulations and simulations of polymers. New physical results and novel simulation and data analysis methods are presented.

Klappentext

More than a decade ago, because of the phenomenal growth in the power of computer simulations, The University of Georgia formed the first institutional unit devoted to the use of simulations in research and teaching: The Center for Simulational Physics. As the simulations community expanded further, we sensed a need for a meeting place for both experienced simulators and neophytes to discuss new techniques and recent results in an environment which promoted extended discussion. As a consequence, the Center for Sim­ ulational Physics established an annual workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics. This year's workshop was the twelfth in this series. It was held at The University of Geor­ gia, March 8-12, 1999 as an unofficial satellite conference to the Centennial Meeting of the American Physical Society in Atlanta, GA. The continued interest shown by the scientific community demonstrates quite clearly the useful purpose which the series has served. These proceedings provide a "sta­ tus report" on a number of important topics. This volume is published with the goal of timely dissemination of the material to a wider audience. We wish to offer special thanks to IBM Corporation for their generous support of this year's workshop. This volume contains both invited papers and contributed presentations on problems in both classical and quantum condensed matter physics. We hope that each reader will benefit from specialized results as well as profit from exposure to new algorithms, methods of analysis, and conceptual devel­ opments.

Inhalt

Computer Simulation Studies in Condensed Matter Physics: An Introduction.- I Electronic Structure and Quantum Monte Carlo.- Beyond Wavelets: Exactness Theorems for Physical Calculations.- 1 Introduction.- 2 Electronic Structure of Matter.- 3 Compact Representation of Fields.- 4 Expression of Physical Couplings.- 5 Efficient Solutions.- References.- Screening of a Point Charge: A Fixed-Node Diffusion Monte Carlo Study.- 1 Introduction.- 2 Model Hamiltonvan.- 3 Screening of a Point Charge.- 4 Quantum Monte Carlo.- References.- Quantum Simulations of Strongly Correlated Electron Systems.- 1 Introduction.- 2 New Quantum Monte Carlo Methods.- 3 Is the Hubbard Model the Right One for High-Tc?.- 4 Concluding Remarks.- References.- Competing Effects in Perovskite Manganites: Ferromagnetism vs. Phase Separation.- 1 Introduction.- 2 One-Orbital Ferromagnetic Kondo Model.- 3 Two-Orbital FM Kondo Model with Jahn-Teller Phones.- 4 Conclusions.- Acknowledgments.- References.- II Phase Transitions and Critical Phenomena.- Critical Finite-Size Scaling with Constraints: Fisher Renormalization ReXIsited.- 1 Introduction.- 2 Model and Simulation Method.- 3 Ising Universality Class.- 4 XY Universality Class.- 5 Summary and Conclusions.- References.- Monte Carlo Simulation of Spin Models with Long-Range Interactions.- 1 Introduction.- 2 Description of the Algorithm.- 3 Applications.- 4 Outlook and Conclusion.- References.- Phase DVAgram of the Spin-3/2 Blume-Capel Model.- 1 Introduction.- 2 Monte Carlo Simulations.- 3 Summary.- References.- Dynamic Phase Transition and Hysteresis in Kinetic Ising Models.- 1 Introduction.- 2 Model and Relevant Quantities.- 3 Decay of Metastable Phases.- 4 Results.- 5 Summary and Discussion.- References.- Application of the 8-State Clock Model to FM/AFM/FM Trilayers.- References.- Monte Carlo Study of Critical Point Shifts in Thin Films.- 1 Introduction.- 2 Model.- 3 Phase Coexistence Curve and Scaling Predictions.- 4 Monte Carlo Procedures and Results.- 5 Summary and Outlook.- References.- Incipient Spanning Clusters in Square and Cubic Percolation.- 1 Introduction.- 2 Percolation.- 3 Incipient Spanning Probability.- 4 Coexistence of Incipient Spanning Clusters in 2D.- 5 Computational Method.- 6 Finite Size Corrections of Spanning Probabilities. Free Boundaries.- 7 Periodic Boundary Conditions.- 8 Incipient Spanning Clusters in Simple Cubic Lattice.- 9 Discussion.- 10 Acknowledgments.- III Spin Glasses.- BivarVAte Multicanonical Monte Carlo of the 3D ±J Spin Glass.- 1 Introduction.- 2 Spin Glass.- 3 Multicanonical Monte Carlo Method.- 4 Numerical Results.- 5 Discussions.- References.- Monte Carlo Simulation of the Three-Dimensional Ising Spin Glass.- 1 Introduction.- 2 Model and Simulation.- 3 Finite Size Scaling Analysis.- 4 Nature of the Phase Transition.- References.- IV Computer Simulation Methods.- Molecular Dynamics Simulations with IMD.- 1 Introduction.- 2 Online XIsualization and the Generation of Pictures.- 3 Metacomputing.- 4 Shock Waves in Quasicrystals and Crystals.- Further Applications of the Broad Histogram Method for Continuous Systems.- 1 Introduction.- 2 The BHMC Method.- 3 Example: The Classical Heisenberg Model.- 4 Results.- 5 How to Include an External Field.- 6 Conclusions.- 7 Acknowledgments.- References.- to the Propp-Wilson Method of Exact Sampling for the Ising Model.- References.- Magnetic Properties of Finite Systems: Microcanonical Finite-Size Scaling.- 1 Introduction: Microcanonical Description of Finite Systems.- 2 Microcanonical Finite-Size Scaling (MFSS).- 3 Conclusion.- References.- Molecular Dynamic Simulation of Directional Crystal Growth.- 1 Introduction.- 2 Simulation.- 3 Cellular Instability.- References.- V Polymers and Surfactants.- Escape Transition of a Grafted Polymer Chain.- 1 Introduction.- 2 Theoretical Background.- 3 The Model.- 4 Simulational Results.- 5 Summary.- References.- Monte Carlo Simulations of Model Nonionic Surfactants.- 1 Introduction.- 2 Models and Methods.- 3 Results.- 4 Discussion.- References.- A New Model to Simulate the Growth of Branched Polymers.- 1 The Branched Polymer Growth Model.- 2 Self-Organized Criticality in the Growth of Branched Polymers.- 3 The Fixed Number of Tips Model (FNTM).- 4 Results.- 5 Conclusion.- References.- Molecular Dynamics Simulations of the Adsorption of Single Chains on Surfaces.- 1 Introduction.- 2 Simulation Method and Model.- 3 Preliminary Results and Discussion.- 4 Acknowledgement.- References.