arXiv subjects

R. Roth

Publications and source records attributed to R. Roth.

At least 91 records · Page 5Linked to original sources

arXiv2005

Hartree-Fock and Many-Body Perturbation Theory with Correlated Realistic NN-Interactions

We employ correlated realistic nucleon-nucleon interactions for the description of nuclear ground states throughout the nuclear chart within the Hartree-Fock approximation. The crucial short-range central and tensor correlations, which are induced by the realistic interaction and cannot be described by the Hartree-Fock many-body state itself, are included explicitly by a state-independent unitary transformation in the framework of the unitary correlation operator method (UCOM). Using the correlated realistic interaction V_UCOM resulting from the Argonne V18 potential, bound nuclei are obtained already on the Hartree-Fock level. However, the binding energies are smaller than the experimental values because long-range correlations have not been accounted for. Their inclusion by means of many-body perturbation theory leads to a remarkable agreement with experimental binding energies over the whole mass range from He-4 to Pb-208, even far off the valley of stability. The observed perturbative character of the residual long-range correlations and the apparently small net effect of three-body forces provides promising perspectives for a unified nuclear structure description.

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arXiv2005

Collective excitations in the Unitary Correlation Operator Method and relativistic QRPA studies of exotic nuclei

The collective excitation phenomena in atomic nuclei are studied in two different formulations of the Random Phase Approximation (RPA): (i) RPA based on correlated realistic nucleon-nucleon interactions constructed within the Unitary Correlation Operator Method (UCOM), and (ii) relativistic RPA (RRPA) derived from effective Lagrangians with density-dependent meson-exchange interactions. The former includes the dominant interaction-induced short-range central and tensor correlations by means of an unitary transformation. It is shown that UCOM-RPA correlations induced by collective nuclear vibrations recover a part of the residual long-range correlations that are not explicitly included in the UCOM Hartree-Fock ground state. Both RPA models are employed in studies of the isoscalar monopole resonance (ISGMR) in closed-shell nuclei across the nuclide chart, with an emphasis on the sensitivity of its properties on the constraints for the range of the UCOM correlation functions. Within the Relativistic Quasiparticle RPA (RQRPA) based on Relativistic Hartree-Bogoliubov model, the occurrence of pronounced low-lying dipole excitations is predicted in nuclei towards the proton drip-line. From the analysis of the transition densities and the structure of the RQRPA amplitudes, it is shown that these states correspond to the proton pygmy dipole resonance.

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arXiv2005

Matrix Elements and Few-Body Calculations within the Unitary Correlation Operator Method

We employ the Unitary Correlation Operator Method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction, and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges.

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arXiv2005

Inhomogeneous hard-sphere mixtures: Manifestations of structural crossover

We study various manifestations of structural crossover in the properties of a binary mixture of hard-spheres. For homogeneous mixtures that are sufficiently asymmetric, there is a crossover line in the phase diagram such that for thermodynamic states that lie on one side, the decay of the three bulk pair correlation functions is oscillatory with a common wavelength approximately equal to the diameter of the smaller spheres, and for states on the other side, the common wavelength is approximately the diameter of the bigger spheres. Using density functional theory we show that structural crossover manifests itself in the intermediate range decay of i) the one-body density profiles of a hard-sphere mixture adsorbed at planar walls, ii) the effective (depletion) potential between two big hard-spheres immersed in the same binary mixture and iii) the solvation force, or excess pressure, of the same mixture confined between two planar hard-walls. We determine exactly the structural crossover line for a one-dimensional binary mixture of hard-rods and present evidence, based on density functional theory calculations and Monte-Carlo simulations, for structural crossover in homogeneous binary mixtures of hard-disks in two dimensions. By considering a multicomponent mixture of hard-spheres, with an appropriate bimodal distribution of diameters, we argue that structural crossover should still occur in the presence of polydispersity and that our results could be relevant to colloidal mixtures where correlation functions can be measured using real-space techniques.

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arXiv2004

Solvent mediated interactions close to fluid-fluid phase separation: microscopic treatment of bridging in a soft core fluid

Using density functional theory we calculate the density profiles of a binary solvent adsorbed around a pair of big solute particles. All species interact via repulsive Gaussian potentials. The solvent exhibits fluid-fluid phase separation and for thermodynamic states near to coexistence the big particles can be surrounded by a thick adsorbed `wetting' film of the coexisting solvent phase. On reducing the separation between the two big particles we find there can be a `bridging' transition as the wetting films join to form a fluid bridge. The potential between the two big particles becomes long ranged and strongly attractive in the bridged configuration. Within our mean-field treatment the bridging transition results in a discontinuity in the solvent mediated force. We demonstrate that accounting for the phenomenon of bridging requires the presence of a non-zero bridge function in the correlations between the solute particles when our model fluid is described within a full mixture theory based upon the Ornstein-Zernike equations.

cond-mat.soft↗

arXiv2004

Non-analytic curvature contributions to solvation free energies: influence of drying

We investigate the solvation of a hard spherical cavity, of radius $R$, immersed in a fluid for which the interparticle forces are short ranged. For thermodynamic states lying close to the liquid binodal, where the chemical potential deviation $δμ\equiv μ- μ_{co}(T)$ is very small and positive, complete wetting by gas (drying) occurs and two regimes of interfacial behavior can be identified. These are characterized by the length scale $R_c=2 γ_{gl}^\infty/(Δρδμ)$, where $γ_{gl}^\infty$ is the planar gas-liquid surface tension and $Δρ$ is the difference in coexisting densities at temperature $T$. For $R>R_c$, the interfacial free energy and the density profile of the fluid near the hard wall can be expanded in powers of the curvature $R^{-1}$, in keeping with the analysis of Stillinger and Cotter, J. Chem. Phys. {\bf 55}, 3449 (1971). In the other regime, $R<R_c$, the interfacial free energy and its derivatives acquire terms depending on $\ln R$. Since $R_c^{-1}$ can be made arbitrarily small this implies non-analytic behavior, as $R^{-1}\to 0$, of the work of formation of a hard spherical cavity and of the Gibbs adsorption and the fluid density at contact with the wall. Our analysis, which is based on an effective interfacial Hamiltonian combined with exact statistical mechanical sum rules, is confirmed fully by the results of microscopic density functional calculations for a square-well fluid.

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arXiv2004

Morphological Thermodynamics of Fluids: Shape Dependence of Free Energies

We examine the dependence of a thermodynamic potential of a fluid on the geometry of its container. If motion invariance, continuity, and additivity of the potential are fulfilled, only four morphometric measures are needed to describe fully the influence of an arbitrarily shaped container on the fluid. These three constraints can be understood as a more precise definition for the conventional term "extensive" and have as a consequence that the surface tension and other thermodynamic quantities contain, beside a constant term, only contributions linear in the mean and Gaussian curvature of the container and not an infinite number of curvatures as generally assumed before. We verify this numerically in the entropic system of hard spheres bounded by a curved wall.

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arXiv2004

Dynamic structure factor of ultracold Bose and Fermi gases in optical lattices

We investigate the dynamic structure factor of atomic Bose and Fermi gases in one-dimensional optical lattices at zero temperature. The focus is on the generic behaviour of S(k,omega) as function of filling and interaction strength with the aim of identifying possible experimental signatures for the different quantum phase transitions. We employ the Hubbard or Bose-Hubbard model and solve the eigenvalue problem of the Hamiltonian exactly for moderate lattice sizes. This allows us to determine the dynamic structure factor and other observables directly in the phase transition regime, where approximation schemes are generally not applicable. We discuss the characteristic signatures of the various quantum phases appearing in the dynamic structure factor and illustrate that the centroid of the strength distribution can be used to estimate the relevant excitation gaps. Employing sum rules, these quantities can be evaluated using ground state expectation values only. Important differences between bosonic and fermionic systems are observed, e.g., regarding the origin of the excitation gap in the Mott-insulator phase.

cond-mat.stat-mech↗

arXiv2004

Nuclear Structure based on Correlated Realistic Nucleon-Nucleon Potentials

We present a novel scheme for nuclear structure calculations based on realistic nucleon-nucleon potentials. The essential ingredient is the explicit treatment of the dominant interaction-induced correlations by means of the Unitary Correlation Operator Method (UCOM). Short-range central and tensor correlations are imprinted into simple, uncorrelated many-body states through a state-independent unitary transformation. Applying the unitary transformation to the realistic Hamiltonian leads to a correlated, low-momentum interaction, well suited for all kinds of many-body models, e.g., Hartree-Fock or shell-model. We employ the correlated interaction, supplemented by a phenomenological correction to account for genuine three-body forces, in the framework of variational calculations with antisymmetrised Gaussian trial states (Fermionic Molecular Dynamics). Ground state properties of nuclei up to mass numbers A<~60 are discussed. Binding energies, charge radii, and charge distributions are in good agreement with experimental data. We perform angular momentum projections of the intrinsically deformed variational states to extract rotational spectra.

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arXiv2003

Quantum phases of atomic boson-fermion mixtures in optical lattices

The zero-temperature phase diagram of a binary mixture of bosonic and fermionic atoms in an one-dimensional optical lattice is studied in the framework of the Bose-Fermi-Hubbard model. By exact numerical solution of the associated eigenvalue problems, ground state observables and the response to an external phase twist are evaluated. The stiffnesses under phase variations provide measures for the boson superfluid fraction and the fermionic Drude weight. Several distinct quantum phases are identified as function of the strength of the repulsive boson-boson and the boson-fermion interaction. Besides the bosonic Mott-insulator phase, two other insulating phases are found, where both the bosonic superfluid fraction and the fermionic Drude weight vanish simultaneously. One of these double-insulator phases exhibits a crystalline diagonal long-range order, while the other is characterized by spatial separation of the two species.

cond-mat.stat-mech↗

arXiv2003

The Asakura-Oosawa model in the protein limit: the role of many-body interactions

We study the Asakura-Oosawa model in the "protein limit", where the penetrable sphere radius $R_{AO}$ is much greater than the hard sphere radius $R_c$. The phase behaviour and structure calculated with a full many-body treatment show important qualitative differences when compared to a description based on pair potentials alone. The overall effect of the many-body interactions is repulsive.

cond-mat↗

arXiv2003

Wetting at Curved Substrates: Non-Analytic Behavior of Interfacial Properties

We argue that for complete wetting at a curved substrate (wall) the wall-fluid surface tension is non-analytic in $R_i^{-1}$, the curvature of the wall and that the density profile of the fluid near the wall acquires a contribution proportional to the gas-liquid surface tension $\times R_i^{-1}$ plus higher-order contributions which are non-analytic in $R_i^{-1}$. These predictions are confirmed by results of density functional calculations for the square-well model of a liquid adsorbed on a hard sphere and on a hard cylinder where complete wetting by gas (drying) occurs. The implications of our results for the solvation of big solvophobic particles are discussed.

cond-mat.soft↗

arXiv2003

Hard-Sphere Fluids in Contact with Curved Substrates

The properties of a hard-sphere fluid in contact with hard spherical and cylindrical walls are studied. Rosenfeld's density functional theory (DFT) is applied to determine the density profile and surface tension $γ$ for wide ranges of radii of the curved walls and densities of the hard-sphere fluid. Particular attention is paid to investigate the curvature dependence and the possible existence of a contribution to $γ$ that is proportional to the logarithm of the radius of curvature. Moreover, by treating the curved wall as a second component at infinite dilution we provide an analytical expression for the surface tension of a hard-sphere fluid close to arbitrary hard convex walls. The agreement between the analytical expression and DFT is good. Our results show no signs for the existence of a logarithmic term in the curvature dependence of $γ$.

cond-mat.stat-mech↗

arXiv2003

Phase Diagram of Bosonic Atoms in Two-Color Superlattices

We investigate the zero temperature phase diagram of a gas of bosonic atoms in one- and two-color standing-wave lattices in the framework of the Bose-Hubbard model. We first introduce some relevant physical quantities; superfluid fraction, condensate fraction, quasimomentum distribution, and matter-wave interference pattern. We then discuss the relationships between them on the formal level and show that the superfluid fraction, which is the relevant order parameter for the superfluid to Mott-insulator transition, cannot be probed directly via the matter wave interference patterns. The formal considerations are supported by exact numerical solutions of the Bose-Hubbard model for uniform one-dimensional systems. We then map out the phase diagram of bosons in non-uniform lattices. The emphasis is on optical two-color superlattices which exhibit a sinusoidal modulation of the well depth and can be easily realized experimentally. From the study of the superfluid fraction, the energy gap, and other quantities we identify new zero-temperature phases, including a localized and a quasi Bose-glass phase, and discuss prospects for their experimental observation.

cond-mat.stat-mech↗

arXiv2003

Depletion potentials near geometrically structured substrates

Using the recently developed so-called White Bear version of Rosenfeld's Fundamental Measure Theory we calculate the depletion potentials between a hard-sphere colloidal particle in a solvent of small hard spheres and simple models of geometrically structured substrates: a right-angled wedge or edge. In the wedge geometry, there is a strong attraction beyond the corresponding one near a planar wall that significantly influences the structure of colloidal suspensions in wedges. In accordance with an experimental study, for the edge geometry we find a free energy barrier of the order of several $k_B T$ which repels a big colloidal particle from the edge.

cond-mat.soft↗

arXiv2002

Superfluidity and Interference Pattern of Ultracold Bosons in Optical Lattices

We present a study of the superfluid properties of atomic Bose gases in optical lattice potentials using the Bose-Hubbard model. To do this, we use a microscopic definition of the superfluid fraction based on the response of the system to a phase variation imposed by means of twisted boundary conditions. We compare the superfluid fraction to other physical quantities, i.e., the interference pattern after ballistic expansion, the quasi-momentum distribution, and number fluctuations. We have performed exact numerical calculations of all these quantities for small one-dimensional systems. We show that the superfluid fraction alone exhibits a clear signature of the Mott-insulator transition. Observables like the fringe visibility, which probe only ground state properties, do not provide direct information on superfluidity and the Mott-insulator transition.

cond-mat.stat-mech↗

arXiv2002

Microscopic theory of solvent mediated long range forces: influence of wetting

We show that a general density functional approach for calculating the force between two big particles immersed in a solvent of smaller ones can describe systems that exhibit fluid-fluid phase separation: the theory captures effects of strong adsorption (wetting) and of critical fluctuations in the solvent. We illustrate the approach for the Gaussian core model, a simple model of a polymer mixture in solution and find extremely attractive, long ranged solvent mediated potentials between the big particles for state points lying close to the binodal, on the side where the solvent is poor in the species which is favoured by the big particles.

cond-mat.soft↗

arXiv2002

Ultracold Bosonic Atoms in Disordered Optical Superlattices

The influence of disorder on ultracold atomic Bose gases in quasiperiodic optical lattices is discussed in the framework of the one-dimensional Bose-Hubbard model. It is shown that simple periodic modulations of the well depths generate a rich phase diagram consisting of superfluid, Mott insulator, Bose-glass and Anderson localized phases. The detailed evolution of mean occupation numbers and number fluctuations as function of modulation amplitude and interaction strength is discussed. Finally, the signatures of the different phases, especially of the Bose-glass phase, in matter-wave interference experiments are investigated.

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