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Ab initio molecular dynamics simulations of Aluminum solvation

Autor: Lubin, M. I., Bylaska, J. H., Weare, J. H.

The solvation of Al and its hydrolyzed species in water clusters has been studied by means of ab initio molecular dynamics simulations. The hexa-hydrate aluminum ion formed a stable complex in the finite temperature cluster simulation of one aluminum

Externí odkaz: http://arxiv.org/abs/cond-mat/9905197

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Ensemble Density Functional Theory for Inhomogeneous Quantum Hall Systems

Autor: Heinonen, O., Lubin, M. I., Johnson, M. D.

We review an ensemble density functional approach to spin-polarized inhomogeneous quantum Hall systems. Recent work on generalizations to include spin degrees of freedom is summarized at the end of the manuscript.
Comment: 16 pages plenum.tex (s

Externí odkaz: http://arxiv.org/abs/cond-mat/9701082

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Spin Ensemble Density Functional Theory for Inhomogeneous Quantum Hall Systems

Autor: Lubin, M. I., Heinonen, O., Johnson, M. D.

We have developed an ensemble density functional theory which includes spin degrees of freedom for nonuniform quantum Hall systems. We have applied this theory using a local-spin-density approximation to study the edge reconstruction of parabolically

Externí odkaz: http://arxiv.org/abs/cond-mat/9701079

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Ensemble Density Functional Theory for Inhomogeneous Fractional Quantum Hall Systems

Autor: Heinonen, O., Lubin, M. I., Johnson, M. D.

The fractional quantum Hall effect (FQHE) occurs at certain magnetic field strengths B*(n) in a two-dimensional electron gas of density n at strong magnetic fields perpendicular to the plane of the electron gas. At these magnetic fields strengths, th

Externí odkaz: http://arxiv.org/abs/cond-mat/9603100

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Ensemble density functional theory of the fractional quantum Hall effect

Autor: Heinonen, O., Lubin, M. I., Johnson, M. D.

We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with semiclassical

Externí odkaz: http://arxiv.org/abs/cond-mat/9506141

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