Search arXivSearch

arXiv · math-ph/9807001

Quantum Transport in Molecular Rings and Chains

Abstract

We study charge transport driven by deformations in molecular rings and chains. Level crossings and the associated Longuet-Higgins phase play a central role in this theory. In molecular rings a vanishing cycle of shears pinching a gap closure leads, generically, to diverging charge transport around the ring. We call such behavior homeopathic. In an infinite chain such a cycle leads to integral charge transport which is independent of the strength of deformation. In the Jahn-Teller model of a planar molecular ring there is a distinguished cycle in the space of uniform shears which keeps the molecule in its manifold of ground states and pinches level crossing. The charge transport in this cycle gives information on the derivative of the hopping amplitudes.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

J. E. Avron, J. Berger. 1999-01-20. Quantum Transport in Molecular Rings and Chains. https://doi.org/10.1098/rspa.1999.0424

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

The quantum Almeida-Thouless line in the self-overlap-corrected quantum Sherrington-Kirkpatrick model

We present a complete analysis of the glass transition in the self-overlap-corrected Sherrington\--Kirkpatrick (SK) model in a transverse magnetic field, also referred to as the quantum SK (QSK) model. In particular, we determine the phase boundary separating the glassy and paramagnetic phases explicitly. Such an analytic characterization of the glass transition is not expected for the true QSK and even unknown for most vector glass models. Despite being of independent interest, the analysis of the self-overlap corrected QSK model serves as important ingredient in the characterization of paramagnetic behavior in the real QSK. The proof is based on a simplified Parisi variational principle for the quantum pressure, which only involves classical Parisi order parameters. As part of the proof, we also analyze the pressure of the self-overlap-constrained quantum SK model and its Parisi description, as well as the pressure of generalized quantum Hopfield models.

math-ph

How to Recover Oscillation-Free Pressure in Real Fluids: The RFQC Method and Its Liquid-Upwind Anomaly

From the perspective of continuum thermodynamics, we revisit the pressure oscillation problem in finite-volume methods for multiphase real fluids and clarify the physical counterpart of the Real Fluid Quasi-Conservative (RFQC) method. The pressure oscillation in conservative finite-volume methods originates from their implicit thermodynamic equilibrium assumption, whereas recovering an oscillation-free pressure requires additional physical information. The RFQC method achieves this by evolving the affine parameters xi and E0 of the isentropic internal-energy-pressure relation along pathlines, while the thermodynamic re-projection converts the deviation from the isentropic trajectory into an internal-energy error, thereby ensuring the thermodynamic consistency and numerical stability of the method. We then investigate the applicability limit of the RFQC method and identify a Liquid-upwind Anomaly (LUA) in extreme phase-change cases. For a Riemann problem involving liquid-vapor phase change, a numerical anomaly may occur if a liquid-upwind translational velocity is initially superimposed. Theoretical analysis reveals that this anomaly is initiated by the jump in the affine slope xi during phase change, which delays pressure rise in the downstream vapor cell. Concurrently, the re-projection removes the positive pressure increment, repeatedly generating large internal-energy errors and trapping the vapor cell in a cycle of delayed pressure recovery. The analysis indicates that the LUA is a start-up anomaly, which can be resolved by introducing a regularization strategy at the initial discontinuity. With the proposed regularization strategy, the RFQC method is equipped with enhanced accuracy and robustness for extreme thermodynamic flows, such as sonic phase-change jets.

math-ph

Nonlocal Cubic Density Gibbs Measures from Bosonic Gibbs States with Three-Body Interactions

We study the high-temperature mean-field limit of grand-canonical bosonic Gibbs states on the torus with renormalized nonlocal three-body interactions. In dimensions two and three, we construct the limiting nonlinear classical Gibbs measure and prove convergence of the relative free energy and of the reduced density matrices of every fixed order; in three dimensions, a smallness condition on the interaction is imposed. The proof combines the density-channel representation of the interaction with a coherent-state variational method based on the upper-symbol representation of the free Gibbs state. The same framework also contains, as a special case, the homogeneous positive-type model studied by Lewin, Nam, and Rougerie (2021).

math-ph