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J. Meyer

Publications and source records attributed to J. Meyer.

At least 37 records · Page 2Linked to original sources
arXiv2014

On the role of physisorption states in molecular scattering: A semi-local density-functional theory study on O2/Ag(111)

We simulate the scattering of O$_2$ from Ag(111) with classical dynamics simulations performed on a six-dimensional potential energy surface calculated within semi-local density-functional theory (DFT). The enigmatic experimental trends that originally required the conjecture of two types of repulsive walls, arising from a physisorption and chemisorption part of the interaction potential, are fully reproduced. Given the inadequate description of the physisorption properties in semi-local DFT, our work casts severe doubts on the prevalent notion to use molecular scattering data as indirect evidence for the existence of such states.

cond-mat.mtrl-sci↗
arXiv2013

Spurious finite-size instabilities in nuclear energy density functionals

It is known that some well-established parametrizations of the EDF do not always provide converged results for nuclei and a qualitative link between this finding and the appearance of finite-size instabilities of SNM near saturation density when computed within the RPA has been pointed out. We seek for a quantitative and systematic connection between the impossibility to converge self-consistent calculations of nuclei and the occurrence of finite-size instabilities in SNM for the example of scalar-isovector (S=0, T=1) instabilities of the standard Skyrme EDF. We aim to establish a stability criterion based on computationally-friendly RPA calculations of SNM that is independent on the functional form of the EDF and that can be utilized during the adjustment of its coupling constants. Tuning the coupling constant $C^{ρΔρ}_{1}$ of the gradient term that triggers scalar-isovector instabilities of the standard Skyrme EDF, we find that the occurrence of instabilities in finite nuclei depends strongly on the numerical scheme used to solve the self-consistent mean-field equations. The link to instabilities of SNM is made by extracting the lowest density $ρ_{\text{crit}}$ at which a pole appears at zero energy in the RPA response function when employing the critical value of the coupling constant $C^{ρΔρ}_{1}$ extracted in nuclei. Our analysis suggests a two-fold stability criterion to avoid scalar-isovector instabilities: (i) The density $ρ_{\text{min}}$ corresponding to the lowest pole in the RPA response function should be larger than about 1.2 times the saturation density; (ii) one needs to verify that $ρ_{p}(q_{\text{pq}})$ exhibits a distinct global minimum and is not a decreasing function for large transferred momenta.

nucl-th↗
arXiv2013

Skyrme functional from a three-body pseudo-potential of second-order in gradients. Formalism for central terms

In one way or the other, all modern parametrizations of the nuclear energy density functional (EDF) do not respect the exchange symmetry associated with Pauli's principle. It has been recently shown that this practice jeopardizes multi-reference (MR) EDF calculations by contaminating the energy with spurious self-interactions that, for example, lead to finite steps or even divergences when plotting it as a function of collective coordinates. As of today, the only viable option to bypass these pathologies is to rely on EDF kernels that enforce Pauli's principle from the outset by strictly and exactly deriving from a genuine, i.e. density-independent, Hamilton operator. We wish to develop the most general Skyrme-like EDF parametrization containing linear, bilinear and trilinear terms in the density matrices with up to two gradients, under the key constraint that it derives strictly from an effective Hamilton operator. The most general three-body Skyrme-like pseudo-potential containing up to two gradient operators is constructed to generate the trilinear part. The present study is limited to central terms. Spin-orbit and tensor will be addressed in a forthcoming paper. (See paper for full abstract)

nucl-th↗
arXiv2012

Fitting Skyrme functionals using linear response theory

Recently, it has been recently shown that the linear response theory in symmetric nuclear matter can be used as a tool to detect finite size instabilities for different Skyrme functionals. In particular it has been shown that there is a correlation between the density at which instabilities occur in infinite matter and the instabilities in finite nuclei. In this article we present a new fitting protocol that uses this correlation to add new additional constraint in Symmetric Infinite Nuclear Matter in order to ensure the stability of finite nuclei against matter fluctuation in all spin and isospin channels. As an application, we give the parameters set for a new Skyrme functional which includes central and spin-orbit parts and which is free from instabilities by construction.

nucl-th↗
arXiv2012

Application of a spring-dashpot system to clinical lung tumor motion data

A spring-dashpot system based on the Voigt model was developed to model the correlation between abdominal respiratory motion and tumor motion during lung radiotherapy. The model was applied to clinical data comprising 52 treatment beams from 10 patients, treated on the Mitsubishi Real-Time Radiation Therapy system, Sapporo, Japan. In Stage 1, model parameters were optimized for individual patients and beams to determine reference values and to investigate how well the model can describe the data. In Stage 2, for each patient the optimal parameters determined for a single beam were applied to data from other beams to investigate whether a beam-specific set of model parameters is sufficient to model tumor motion over a course of treatment. In Stage 1 the baseline root mean square (RMS) residual error for all individually-optimized beam data was 0.90 plus or minus 0.40 mm. In Stage 2, patient-specific model parameters based on a single beam were found to model the tumor position closely, even for irregular beam data, with a mean increase with respect to Stage 1 values in RMS error of 0.37 mm. On average the obtained model output for the tumor position was 95% of the time within an absolute bound of 2.0 mm and 2.6 mm in Stage 1 and 2, respectively. The model was capable of dealing with baseline, amplitude and frequency variations of the input data, as well as phase shifts between the input tumor and output abdominal signals. These results indicate that it may be feasible to collect patient-specific model parameters during or prior to the first treatment, and then retain these for the rest of the treatment period. The model has potential for clinical application during radiotherapy treatment of lung tumors.

physics.med-ph↗
arXiv2012

Nuclear response for the Skyrme effective interaction with zero-range tensor terms. III. Neutron matter and neutrino propagation

The formalism of the linear response for the Skyrme energy density functional including tensor terms derived in articles [1,2] for nuclear matter is applied here to the case of pure neutron matter. As in article [2] we present analytical results for the response function in all channels, the Landau parameters and the odd-power sum rules. Special emphasis is given to the inverse energy weighted sum rule because it can be used to detect non physical instabilities. Typical examples are discussed and numerical results shown. Moreover, as a direct application, neutrino propagation in neutron matter is investigated through its neutrino mean free path at zero temperature. This quantity turns out to be very sensitive to the tensor terms of the Skyrme energy density functional.

nucl-th↗
arXiv2012

Nuclear response for the Skyrme effective interaction with zero-range tensor terms. II. Sum rules and instabilities

The formalism of linear response theory for Skyrme forces including tensor terms presented in article [1] is generalized for the case of a Skyrme energy density functional in infinite matter. We also present analytical results for the odd-power sum rules, with particular attention to the inverse energy weighted sum rule, $M_{-1}$, as a tool to detect instabilities in Skyrme functionals.

nucl-th↗
arXiv2011

Linear response in infinite nuclear matter as a tool to reveal finite size instabilities

Nuclear effective interactions are often modelled by simple analytical expressions such as the Skyrme zero-range force. This effective interaction depends on a limited number of parameters that are usually fitted using experimental data obtained from doubly magic nuclei. It was recently shown that many Skyrme functionals lead to the appearance of instabilities, in particular when symmetries are broken, for example unphysical polarization of odd-even or rotating nuclei. In this article, we show how the formalism of the linear response in infinite nuclear matter can be used to predict and avoid the regions of parameters that are responsible for these unphysical instabilities.

nucl-th↗
arXiv2009

Tensor part of the Skyrme energy density functional. II: Deformation properties of magic and semi-magic nuclei

We study systematically the impact of the time-even tensor terms of the Skyrme energy density functional, i.e. terms bilinear in the spin-current tensor density, on deformation properties of closed shell nuclei corresponding to 20, 28, 40, 50, 82, and 126 neutron or proton shell closures. We compare results obtained with three different families of Skyrme parameterizations whose tensor terms have been adjusted on properties of spherical nuclei: (i) TIJ interactions proposed in the first paper of this series [T. Lesinski et al., Phys. Rev. C 76, 014312 (2007)] which were constructed through a complete readjustment of the rest of the functional (ii) parameterizations whose tensor terms have been added perturbatively to existing Skyrme interactions, with or without readjusting the spin-orbit coupling constant. We analyse in detail the mechanisms at play behind the impact of tensor terms on deformation properties and how studying the latter can help screen out unrealistic parameterizations. It is expected that findings of the present paper are to a large extent independent of remaining deficiencies of the central and spin-orbit interactions, and will be of great value for the construction of future, improved energy functionals.

nucl-th↗
arXiv2009

Nuclear response for the Skyrme effective interaction with zero range tensor terms

The effects of a zero-range tensor component of the effective interaction on nuclear response functions are determined in the so-called RPA approach. Explicit formula in the case of symmetric homogeneous isotropic nuclear matter are given for each spin-isospin excitation channel. It is shown for a typical interaction with tensor couplings that the effects are quantitatively important, mainly in vector channels.

nucl-th↗
arXiv2009

Non-empirical pairing energy density functional. First order in the nuclear plus Coulomb two-body interaction

We perform systematic calculations of pairing gaps in semi-magic nuclei across the nuclear chart using the Energy Density Functional method and a {\it non-empirical} pairing functional derived, without further approximation, at lowest order in the two-nucleon vacuum interaction, including the Coulomb force. The correlated single-particle motion is accounted for by the SLy4 semi-empirical functional. Rather unexpectedly, both neutron and proton pairing gaps thus generated are systematically close to experimental data. Such a result further suggests that missing effects, i.e. higher partial-waves of the NN interaction, the NNN interaction and the coupling to collective fluctuations, provide an overall contribution that is sub-leading as for generating pairing gaps in nuclei. We find that including the Coulomb interaction is essential as it reduces proton pairing gaps by up to 40%.

nucl-th↗
arXiv2009

Majoron emission in muon and tau decays revisited

In models where the breaking of lepton number is spontaneous a massless Goldstone boson, the Majoron ($J$), appears. We calculate the theoretically allowed range for the branching ratios of Majoron emitting charged lepton decays, such as Br($μ\to e J$) and Br($μ\to e J γ$), in a supersymmetric model with spontaneous breaking of R-parity. Br($μ\to eJ$) is maximal in the same region of parameter space for which the lightest neutralino decays mainly invisibly. A measurement of Br($μ\to eJ$) thus potentially provides information on R-parity violation complementary to accelerator searches. We also briefly discuss existing bounds and prospects for future improvements on the Majoron coupling to charged leptons.

hep-ph↗
arXiv2007

Are the renormalized band widths in TTF-TCNQ of structural or electronic origin? - An angular dependent NEXAFS study

We have performed angle-dependent near-edge x-ray absorption fine structure measurements in the Auger electron yield mode on the correlated quasi-one-dimensional organic conductor TTF-TCNQ in order to determine the orientation of the molecules in the topmost surface layer. We find that the tilt angles of the molecules with respect to the one-dimensional axis are essentially the same as in the bulk. Thus we can rule out surface relaxation as the origin of the renormalized band widths which were inferred from the analysis of photoemission data within the one-dimensional Hubbard model. Thereby recent theoretical results are corroborated which invoke long-range Coulomb repulsion as alternative explanation to understand the spectral dispersions of TTF-TCNQ quantitatively within an extended Hubbard model.

cond-mat.str-el↗
arXiv2007

The tensor part of the Skyrme energy density functional. I. Spherical nuclei

We perform a systematic study of the impact of the J^2 tensor term in the Skyrme energy functional on properties of spherical nuclei. In the Skyrme energy functional, the tensor terms originate both from zero-range central and tensor forces. We build a set of 36 parameterizations, which covers a wide range of the parameter space of the isoscalar and isovector tensor term coupling constants, with a fit protocol very similar to that of the successful SLy parameterizations. We analyze the impact of the tensor terms on a large variety of observables in spherical mean-field calculations, such as the spin-orbit splittings and single-particle spectra of doubly-magic nuclei, the evolution of spin-orbit splittings along chains of semi-magic nuclei, mass residuals of spherical nuclei, and known anomalies of charge radii. Our main conclusion is that the currently used central and spin-orbit parts of the Skyrme energy density functional are not flexible enough to allow for the presence of large tensor terms.

nucl-th↗
arXiv2006

Isovector splitting of nucleon effective masses, ab-initio benchmarks and extended stability criteria for Skyrme energy functionals

We study the effect of the splitting of neutron and proton effective masses with isospin asymmetry on the properties of the Skyrme energy density functional. We discuss the ability of the latter to predict observable of infinite matter and finite nuclei, paying particular attention to controlling the agreement with ab-initio predictions of the spin-isospin content of the nuclear equation of state, as well as diagnosing the onset of finite size instabilities, which we find to be of critical importance. We show that these various constraints cannot be simultaneously fulfilled by the standard Skyrme force, calling at least for an extension of its P-wave part.

nucl-th↗
arXiv2004

Microscopic determination of the nuclear incompressibility within the non-relativistic framework

The nuclear incompressibility $K_\infty$ is deduced from measurements of the Isoscalar Giant Monopole Resonance (ISGMR) in medium-heavy nuclei, and the resulting value turns out to be model dependent. Since the considered nuclei have neutron excess, it has been suggested that the model dependence is due to the different behaviour of the symmetry energy in different models. To clarify this issue, we make a systematic and careful analysis based on new Skyrme forces which span a wide range of values for $K_\infty$, for the value of the symmetry energy at saturation and for its density dependence. By calculating, in a fully self-consistent fashion, the ISGMR centroid energy in $^{208}$Pb we reach, for the first time within the non-relativistic framework, three important conclusions: (i) the monopole energy, and consequently the deduced value of $K_\infty$, depend on a well defined parameter related to the shape of the symmetry energy curve and called $K_{sym}$; (ii) Skyrme forces of the type of SLy4 predict $K_\infty$ around 230 MeV, in agreement with the Gogny force (previous estimates using Skyrme interactions having been plagued by lack of full self-consistency); (iii) it is possible to build forces which predict $K_\infty$ around 250 MeV, although part of this increase is due to our poor knowledge of the density dependence and effective mass.

nucl-th↗
arXiv2003

Skyrme forces with extended density dependence

A generalized parameterization of the Skyrme effective force is discussed. Preliminary results are presented for infinite symmetric and asymmetric nuclear matter. In particular, it is shown that an enlarged density dependence based on two terms allows to choose independently the incompressibility and the isoscalar effective mass.

nucl-th↗