Publications

Order by: publication date number of citations

• A benchmark study of dioxygen complexes based on coupled cluster and density functional theory

  Marcel Swart, Marc Reimann

  SciPost Chem. 3, 001 (2024) · published 13 August 2024 | Toggle abstract · pdf

  A set of five compounds containing peroxo, superoxo or bis-μ-oxo moieties has been studied in the gas phase using CCSD(T)/aug-cc-pVQZ, also in combination with Goodson’s continued fraction approach. The corresponding analytical frequencies corroborate assignments of bands from experiments, and thus provide a consistent set of reference data that can be used for benchmarking a range of density functional approximations. A total of 100 density functionals have been checked for the general bond lengths, the specific peroxo/superoxo bond lengths, angles, and vibrational frequencies. There is not one density functional that performs equally well for all of these properties, not even within one class of density functionals.

  1 citation

• Measurement for p–3He elastic scattering with a 65 MeV polarized proton beam

  S. Nakai, K. Sekiguchi, K. Miki, A. Watanabe, S. Shibuya, M. Watanabe, K. Kawahara, D. Sakai, Y. Wada, H. Umetsu, M. Itoh, K. Hatanaka, A. Tamii, N. Kobayashi, A. Inoue, S. Nakamura, T. Wakasa, S. Mitsumoto, H. Ohshiro, S. Goto, Y. Maeda, H. Sakai

  SciPost Phys. Proc. 3, 019 (2020) · published 25 February 2020 | Toggle abstract · pdf

  We measured the cross section and the proton analyzing power Ay for p–3He elastic scattering at the angles θ = 26.9◦–170.1◦ in the center of mass system with a 65 MeV polarized proton beam. We compared the data with the rigorous numerical calculations based on the various nucleon–nucleon potentials. For the cross section, clear discrepancy is seen at the angles where the cross section takes minimum. For the proton analyzing power Ay, the calculations have moderate agreements to the data. In this proceedings, we show only the experimental results.

  1 citation

• Ruling out QCD phase transition as a PBH origin of LIGO/Virgo events

  Joaquim Iguaz Juan

  SciPost Phys. Proc. 12, 052 (2023) · published 5 July 2023 | Toggle abstract · pdf

  The best-motivated scenario for a sizable primordial black hole (PBH) contribution to the LIGO/Virgo binary black hole mergers invokes the QCD phase transition, which naturally enhances the probability to form PBH with masses of stellar scale. We reconsider the expected mass function assuming a CMB-like primordial spectrum and associated not only to the QCD phase transition proper, but also the $e^{+}e^{-}$ annihilation process, and analyze the constraints on this scenario from a number of observations. We find that the scenario is not viable, unless an ad hoc mass evolution for the PBH mass function and a cutoff in power-spectrum very close to the QCD scale are introduced by hand.

  1 citation

• Centre vortex structure of QCD-vacuum fields and confinement

  Derek Leinweber, James Biddle, Waseem Kamleh

  SciPost Phys. Proc. 6, 004 (2022) · published 31 May 2022 | Toggle abstract · pdf

  The non-trivial ground-state vacuum fields of QCD form the foundation of matter. Using modern visualisation techniques, this presentation examines the microscopic structure of these fields. Of particular interest are the centre vortices identified within the ground-state fields of lattice QCD. Our current focus is on understanding the manner in which dynamical fermions in the QCD vacuum alter the centre-vortex structure. The impact of dynamical fermions is significant and provides new insights into the role of centre vortices in underpinning both confinement and dynamical chiral symmetry breaking in QCD.

  1 citation

• An infalling observer and behind the horizon cutoff

  Amin Akhavan, Mohsen Alishahiha

  SciPost Phys. 7, 073 (2019) · published 3 December 2019 | Toggle abstract · pdf

  Using Papadodimas and Raju construction of operators describing the interior of a black hole, we present a general relation between partition functions of operators describing inside and outside the black hole horizon. In particular for an eternal black hole the partition function of the interior modes may be given in terms those partition functions associated with the modes of left and right exteriors. By making use of this relation we observe that setting a finite UV cutoff will enforce us to have a cutoff behind the horizon whose value is fixed by the UV cutoff. The resultant cutoff is in agreement with what obtained in the context of holographic complexity.

  1 citation

• Search for low mass WIMP dark matter with DarkSide-50

  Masato Kimura on behalf of DarkSide-50 Collaboration

  SciPost Phys. Proc. 12, 022 (2023) · published 3 July 2023 | Toggle abstract · pdf

  DarkSide-50 is a direct dark matter detection experiment at Laboratori Nazionali del Gran Sasso that uses argon as the target material. Exploiting the ionization signal from a dual-phase time projection chamber filled with low-radioactivity argon, it has set the most stringent exclusion limit on WIMPs with a mass of few $\mathrm{GeV}/c^2$. A new analysis has recently been carried out with a larger exposure, profiting from an improved understanding of the detector response and background model. An improvement of about a factor 10 in sensitivity is expected for a WIMP mass of 2 GeV/c$^2$.

  1 citation

• Scaling limit of the staggered six-vertex model with $U_q\big(\mathfrak{sl}(2)\big)$ invariant boundary conditions

  Holger Frahm, Sascha Gehrmann, Gleb Andreevich Kotousov

  SciPost Phys. 16, 149 (2024) · published 5 June 2024 | Toggle abstract · pdf

  We study the scaling limit of a statistical system, which is a special case of the integrable inhomogeneous six-vertex model. It possesses $U_q\big(\mathfrak{sl}(2)\big)$ invariance due to the choice of open boundary conditions imposed. An interesting feature of the lattice theory is that the spectrum of scaling dimensions contains a continuous component. By applying the ODE/IQFT correspondence and the method of the Baxter $Q$ operator the corresponding density of states is obtained. In addition, the partition function appearing in the scaling limit of the lattice model is computed, which may be of interest for the study of nonrational CFTs in the presence of boundaries. As a side result of the research, a simple formula for the matrix elements of the $Q$ operator for the general, integrable, inhomogeneous six-vertex model was discovered, that has not yet appeared in the literature. It is valid for a certain one parameter family of diagonal open boundary conditions in the sector with the $z$-projection of the total spin operator being equal to zero.

  1 citation

• Implications of exclusive J/$\psi$ photoproduction in a tamed collinear factorisation approach to NLO

  Chris A. Flett, Alan D. Martin, Misha G. Ryskin, Thomas Teubner

  SciPost Phys. Proc. 15, 005 (2024) · published 2 April 2024 | Toggle abstract · pdf

  We discuss exclusive J/$\psi$ photoproduction, initially in conventional collinear factorisation at NLO and then subsequently in a refined approach with a programme of low x resummation and implementation of a crucial low $Q_0$ subtraction included. We compare and contrast predictions in both frameworks and remark about the possibility to constrain and ultimately determine the low x and low scale gluon PDF, emphasising the significance of this for future global PDF analyses.

  1 citation

• On the Virasoro fusion and modular kernels at any irrational central charge

  Julien Roussillon

  SciPost Phys. 17, 138 (2024) · published 20 November 2024 | Toggle abstract · pdf

  We propose a series representation for the Virasoro fusion and modular kernels at any irrational central charge. Two distinct, yet closely related formulas are needed for the cases $c∈ \mathbb{C} \backslash (-∞,1]$ and $c <1$. Our proposal for $c <1$ agrees numerically with the fusion transformation of the four-point spherical conformal blocks, whereas our proposal for $c∈ \mathbb{C} \backslash (-∞,1]$ agrees numerically with Ponsot and Teschner's integral formula for the fusion kernel. The case of the modular kernel is studied as a special case of the fusion kernel.

  1 citation

• calcQPI: A versatile tool to simulate quasiparticle interference

  Peter Wahl, Luke C. Rhodes, Carolina A. Marques

  SciPost Phys. Codebases 61 (2025) · published 5 November 2025 | Toggle abstract · pdf

  Quasiparticle interference imaging (QPI) provides a route to characterize electronic structure from real space images acquired using scanning tunneling microscopy. It emerges due to scattering of electrons at defects in the material. The QPI patterns encode details of the $k$-space electronic structure and its spin and orbital texture. Recovering this information from a measurement of QPI is non-trivial, requiring modelling not only of the dominant scattering vectors, but also the overlap of the wave functions with the tip of the microscope. While, in principle, it is possible to model QPI from density functional theory (DFT) calculations, for many quantum materials it is more desirable to model the QPI from a tight-binding model, where inaccuracies of the DFT calculation can be corrected. Here, we introduce an efficient code to simulate quasiparticle interference from tight-binding models using the continuum Green's function method.

  1 citation