Titlebook: High Performance Computing in Science and Engineering ’98; Transactions of the Egon Krause,Willi J?ger Conference proceedings 1999 Springe

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Quantum Monte Carlo simulations of one hole in the t-J model, world-line loop-algorithm. It is shown that in the one-hole case with . 0, very low temperatures (. ~ 3000) are necessary in order to reach Nagaoka’s state. Full polarization becomes unstable for J ~ 10.t towards partial polarization up to ./. ? 0.01. ./. ? 0.05 leads to minimal spin. The two-hole

ERUPT

,(2)-spin Invariant Auxiliary Field Quantum Monte-Carlo Algorithm for Hubbard models,o the .-component of the spin. This transformation breaks .(2) spin invariance. The symmetry is restored only after summation over the auxiliary fields. Here, we analyze an alternative decomposition, which conserves .(2) spin invariance, but requires the use of complex numbers. We show that this alg

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Temperature dependent band structure of the Kondo insulator,llows to perform minus-sign free QMC simulations and thus reach temperatures of less than 1% of the conduction electron bandwidth. Study of the temperature dependence of the single particle Green’s function and dynamical spin correlation function shows a surprisingly intricate low temperature band s

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pericardium

The interplay between ,-wave superconductivity and antiferromagnetic fluctuations: a quantum Monte ghbor hopping. At half-band filling, constant ., we show that enhancing . drives the system from a .-wave superconductor to an antiferromagnetic Mott insulator. At zero temperature in the superconducting phase, spin-spin correlations follow a powerlaw: e.|.|.. Here .. (π,π) and α is in the range 1 <

Highbrow

Towards a Time-Dependent Density-Functional Description of Multiple Multiphoton-Ionization of Heliually solve the full, three-dimensional time-dependent Kohn-Sham equations for a Helium atom in a strong (780nm) laser field. Explicit density functionals for the calculation of ionization probabilities are developed. From the results, we will draw conclusions about the role of electronic correlation

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Hydrogen Molecule in a Magnetic Field: The Global Ground State of the Parallel Configuration,ates with .Σ., .Σ., and .∏. symmetry are studied for a broad range of field strengths 0 ≤ B ≤ 100 a.u. As a major result we determine the transition field strengths for the crossings among these states: The global ground state for B ? 0.18 a.u. is the strongly bound .Σ. state. The crossing of the .Σ

Fabric

Interfaces in immiscible polymer blends: A Monte Carlo simulation approach on the CRAY T3E,ter simulations we investigate the interfacial structure in a partially compatible polymer mixture. The problem is studied in the framework of a coarse grained lattice model - the bond fluctuation model on the simple cubic lattice, choosing . = 32 and lattice linear dimensions . × . × . up to 512 ×

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