2,670 research outputs found

    High-density correlation energy expansion of the one-dimensional uniform electron gas

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    We show that the expression of the high-density (i.e small-rsr_s) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form \Ec(r_s) = -\pi^2/360 + 0.00845 r_s + ..., where rsr_s is the average radius of an electron. Combining these new results with the low-density correlation energy expansion, we propose a local-density approximation correlation functional, which deviates by a maximum of 0.1 millihartree compared to the benchmark DMC calculations.Comment: 7 pages, 2 figures, 3 tables, accepted for publication in J. Chem. Phy

    Effective one-band electron-phonon Hamiltonian for nickel perovskites

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    Inspired by recent experiments on the Sr-doped nickelates, La2xSrxNiO4La_{2-x}Sr_xNiO_4, we propose a minimal microscopic model capable to describe the variety of the observed quasi-static charge/lattice modulations and the resulting magnetic and electronic-transport anomalies. Analyzing the motion of low-spin (s=1/2) holes in a high-spin (S=1) background as well as their their coupling to the in-plane oxygen phonon modes, we construct a sort of generalized Holstein t-J Hamiltonian for the NiO2NiO_2 planes, which contains besides the rather complex ``composite-hole'' hopping part non-local spin-spin and hole-phonon interaction terms.Comment: 12 pages, LaTeX, submitted to Phys. Rev.

    Thinking outside the box: the uniform electron gas on a hypersphere

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    We discuss alternative homogeneous electron gas systems in which a finite number nn of electrons are confined to a DD-dimensional sphere. We derive the first few terms of the high-density (rs0r_s\to0, where rsr_s is the Seitz radius) energy expansions for these systems and show that, in the thermodynamic limit (nn\to\infty), these terms become identical to those of DD-dimensional jellium.Comment: 5 pages, 2 figures, 2 tables, accepted for publication in J. Chem. Phy

    Dynamical Properties of small Polarons

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    On the basis of the two-site polaron problem, which we solve by exact diagonalization, we analyse the spectral properties of polaronic systems in view of discerning localized from itinerant polarons and bound polaron pairs from an ensemble of single polarons. The corresponding experimental techniques for that concern photoemission and inverse photoemission spectroscopy. The evolution of the density of states as a function of concentration of charge carriers and strength of the electron-phonon interaction clearly shows the opening up of a gap between single polaronic and bi-polaronic states, in analogy to the Hubbard problem for strongly correlated electron systems. The crossover regime between adiabatic and anti-adiabatic small polarons is triggered by two characteristic time scales: the renormalized electron hopping rate and the renormalized vibrational frequency becoming equal. This crossover regime is then characterized by temporarily alternating self- localization and delocalization of the charge carriers which is accompanied by phase slips in the charge and molecular deformation oscillations and ultimately leads to a dephasing between these two dynamical components of the polaron problem. We visualize these features by a study of the temporal evolution of the charge redistribution and the change in molecular deformations. The spectral and dynamical properties of polarons discussed here are beyond the applicability of the standard Lang Firsov approach to the polaron problem.Comment: 31 pages and 23 figs.(eps), accepted in the Phys. Rev.

    Quantum Magnetic Algebra and Magnetic Curvature

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    The symplectic geometry of the phase space associated with a charged particle is determined by the addition of the Faraday 2-form to the standard structure on the Euclidean phase space. In this paper we describe the corresponding algebra of Weyl-symmetrized functions in coordinate and momentum operators satisfying nonlinear commutation relations. The multiplication in this algebra generates an associative product of functions on the phase space. This product is given by an integral kernel whose phase is the symplectic area of a groupoid-consistent membrane. A symplectic phase space connection with non-trivial curvature is extracted from the magnetic reflections associated with the Stratonovich quantizer. Zero and constant curvature cases are considered as examples. The quantization with both static and time dependent electromagnetic fields is obtained. The expansion of the product by the deformation parameter, written in the covariant form, is compared with the known deformation quantization formulas.Comment: 23 page

    Low-Temperature Spin Dynamics of Doped Manganites: roles of Mn-t2g and eg and O-2p states

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    The low-temperature spin dynamics of doped manganites have been analyzed within a tight-binding model, the parameters of which are estimated by mapping the results of ab initio density functional calculations onto the model. This approach is found to provide a good description of the spin dynamics of the doped manganites, observed earlier within the ab initio calculations. Our analysis not only provides some insight into the roles of the eg and the t2g states but also indicates that the oxygen p states play an important role in the spin dynamics. This may cast doubt on the adaptability of the conventional model Hamiltonian approaches to the analysis of spin dynamics of doped manganites.Comment: 12 pages; Includes 5 figure

    Could recombinant insulin compounds contribute to adenocarcinoma progression by stimulating local angiogenesis?

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    Negative effects on the progression of adenocarcinomas by hyperinsulinaemia and the insulin analogue glargine (A21Gly,B31Arg,B32Arg human insulin) have recently been suggested. Most actions of this insulin analogue have hitherto been explained by direct stimulation of growth potential of neoplastic cells and by its IGF-1 related properties. However, insulin-stimulated angiogenesis could be an additional factor involved in tumour progression and clinical outcomes associated with cancer. Five types of human adenocarcinoma (breast, colon, pancreas, lung and kidney) were evaluated for the presence of insulin receptors (IRs) on angiogenic structures. In an in vitro angiogenesis assay, various commercially available insulin compounds were evaluated for their potential to increase capillary-like tube formation of human microvascular endothelial cells (hMVEC). Insulin compounds used were: human insulin, insulin lispro (B28Lys,B29Pro human insulin), insulin glargine and insulin detemir (B29Lys[e-tetradecanoyl],desB30 human insulin). Insulin receptors were found to be strongly expressed on the endothelium of microvessels in all evaluated adenocarcinomas, in addition to variable expression on tumour cells. Low or no detectable expression of IRs was seen on microvessels in extratumoral stroma. Incubation with commercially available insulin compounds increased capillary-like tube formation of hMVEC in vitro. Our results suggest that all tested insulin compounds may stimulate tumour growth by enhancing local angiogenesis. Future studies need to confirm the association between insulin therapy in type 2 diabetes and tumour progressio

    Correlation energy of anisotropic quantum dots

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    We study the DD-dimensional high-density correlation energy \Ec of the singlet ground state of two electrons confined by a harmonic potential with Coulombic repulsion. We allow the harmonic potential to be anisotropic, and examine the behavior of \Ec as a function of the anisotropy α1\alpha^{-1}. In particular, we are interested in the limit where the anisotropy goes to infinity (α0\alpha\to0) and the electrons are restricted to a lower-dimensional space. We show that tuning the value of α\alpha from 0 to 1 allows a smooth dimensional interpolation and we demonstrate that the usual model, in which a quantum dot is treated as a two-dimensional system, is inappropriate. Finally, we provide a simple function which reproduces the behavior of \Ec over the entire range of α\alpha.Comment: 5 pages, 2 figures, 1 table, submitted to Phys. Rev.

    Space-time versus particle-hole symmetry in quantum Enskog equations

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    The non-local scattering-in and -out integrals of the Enskog equation have reversed displacements of colliding particles reflecting that the -in and -out processes are conjugated by the space and time inversions. Generalisations of the Enskog equation to Fermi liquid systems are hindered by a request of the particle-hole symmetry which contradicts the reversed displacements. We resolve this problem with the help of the optical theorem. It is found that space-time and particle-hole symmetry can only be fulfilled simultaneously for the Bruckner-type of internal Pauli-blocking while the Feynman-Galitskii form allows only for particle-hole symmetry but not for space-time symmetry due to a stimulated emission of Bosons
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