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Advances in Solid State Physics

Electronic Correlations in Electron Transfer Systems

R. Bulla, Sabine Tornow, Frithjof B. Anders

Published Jan 22, 2008• 2 citations
Publisher
DOI
10.1007/978-3-540-74325-5_6

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Physical review. B, Condensed matter•Apr 15, 1980•5 citations
We investigate electron transfer processes in donor-acceptor systems with a coupling of the electronic degrees of freedom to a common bosonic bath. The model allows to study many-particle effects and the influence of the local Coulomb interaction U between electrons on donor and acceptor sites. Using the non-perturbative numerical renormalization group approach we find distinct differences between the electron transfer characteristics in the single- and two-particle subspaces. We calculate the critical electron-boson coupling α c as a function of U and show results for density-density correlation functions in the whole parameter space. The possibility of many-particle (bipolaronic) and Coulomb-assisted transfer is discussed.
Characterizing quantum correlations in many-body systems is essential for understanding emergent phenomena in quantum materials. The correlation entropy serves as a key metric for assessing the complexity of a quantum many-body state in interacting electronic systems. However, its determination requires the measurement of all single-particle correlators across a macroscopic sample, which can be impractical. Machine learning methods have been shown to enable the correlation entropy to be learned from a reduced set of measurements, yet these methods assume that the targeted system is contained in the set of training Hamiltonians. Here we show that a transfer learning strategy enables correlation entropy learning from a reduced set of measurements in variants of Hamiltonians never considered in the training set. We demonstrate this transfer learning methodology in a wide variety of interacting models, including local and nonlocal attractive and repulsive many-body interactions, long-range hopping, doping, magnetic field, and spin-orbit coupling. Furthermore, we show that this transfer learning methodology enables the detection of phases in quantum many-body systems beyond those present in the training set. Our results demonstrate that correlation entropy learning can be performed experimentally without requiring training in the experimentally realized Hamiltonian.
The electronic and magnetic correlations in diatomic molecules are studied rigorously on the basis of a Hubbard Hamiltonian. The problem is treated in three phases separately, firstly for electrons with nondegenerate orbitals, then for electrons with degenerate orbitals, and finally for a mixture of both. In this last case special emphasis is put on the interaction between the electrons in the nondegenerate orbital levels with those in the degenerate orbital levels. In this context some qualitative features of how electronic correlations influence the cohesive forces are sketched. We highlight the extent to which various factors such as the total number of electrons in the system, the Pauli principle, Hund's rule, the level splitting, and the relative size of the transfer integrals are influential in determining the ground-state configurations. Some simple physical guidelines are provided for accurately guessing the various possible ground-state configurations.