arXiv subjects

Tobias Neumann

Publications and source records attributed to Tobias Neumann.

At least 19 recordsLinked to original sources

arXiv2025

Using Dopants as Agents to Probe Key Electronic Properties of Organic Semiconductors

In organic electronics, conductivity doping is used primarily to eliminate charge injection barriers in organic light-emitting diodes, organic photovoltaics and other electronic devices. Therefore, research on conductivity doping is primarily focused on understanding and enhancing the properties of these doped layers. In contrast, this work shifts the focus from optimizing doped layers to leveraging the doping process as a tool for investigating fundamental material properties. Specifically, the dopant is used as an "agent" to enable the measurement of three critical parameters: ionization potential (IP), electron affinity (EA), and Coulomb interaction energy (VC) - that govern dopant ionization and play central roles in organic electronic devices in general. While these parameters can be measured experimentally, conventional approaches often involve intricate or indirect methods, such as spectral deconvolution, which may introduce ambiguities or fail to represent bulk properties. Here it is shown how consolidating the experimental data and simulations on the dopant ionization fraction and doped-induced conductivity can be used to estimate the mean IP or EA of the embedded organic molecule, and VC of the embedded charge-transfer complex. These results illustrate how measuring and simulating doped materials can provide access to the fundamental design parameters of organic electronic devices

cond-mat.mtrl-sci↗

arXiv2024

Projection-to-Born-improved Subtractions at NNLO

While the current frontier in fixed-order precision for collider observables is N$^3$LO, important steps are necessary to consolidate NNLO cross-section predictions with improved stability and efficiency. Slicing methods have been successfully applied to obtain NNLO and N$^3$LO predictions, but have shown poor performance in the presence of fiducial cuts due to large kinematical power corrections. In this paper we implement Projection-to-Born-improved $q_T$ (P2B $q_T$) and jettiness (P2B $\tau_0$) subtractions for a large class of color singlet processes in MCFM. This method allows for the efficient evaluation of \emph{fiducial} power corrections in any non-local subtraction scheme using a Projection-to-Born subtraction. We demonstrate the significant numerical improvements of this method based on fiducial Drell-Yan and Higgs cross-sections. Moreover, with fiducial power corrections removed via this method, the leading-logarithmic power corrections that have only been calculated without fiducial cuts can be included, further improving the calculations. For di-photon production with photon isolation, we devise a novel method in combination with P2B-improved subtractions, which we name $P2B_\gamma$ $\tau_0$, and $P2B_\gamma$ $q_T$ for the two subtraction schemes, respectively. This method allows the inclusion of both fiducial power corrections due to kinematic cuts on the photons and a set of isolation power corrections in the fragmentation channel where a quark may enter the isolation cone. We find significant improvements in the convergence of NNLO di-photon cross-sections with photon isolation cuts, demonstrating that it is possible to achieve a stable and efficient calculation of di-photon cross-sections using slicing methods.

hep-ph↗

arXiv2023

Third order QCD predictions for fiducial W-boson production

Measurements of W-boson production at the LHC have reached percent-level precision and impose challenging demands on theoretical predictions. Such predictions directly limit the precision of measurements of fundamental quantities such as the W-boson mass and the weak mixing angle. A dominant source of uncertainty in predictions is from higher-order QCD effects. We present a calculation of W-boson production at the level of $\alpha_s^3$ at fixed order and including transverse-momentum resummation. We further show predictions for a direct comparison with low-pileup ATLAS transverse-momentum and fiducial cross-section measurements at $\sqrt{s}=5.02\text{ TeV}$. We discuss in detail the impact of modern PDFs. Our calculation including the matching to W+jet production at NNLO will be publicly available the upcoming CuTe-MCFM release and allows for theory-data comparison at the state-of-the-art level.

hep-ph↗

arXiv2023

Jet-veto resummation at N$^3$LL$_\text{p}$+NNLO in boson production processes

Vetoing energetic jet activity is a crucial tool for suppressing backgrounds and enabling new physics searches at the LHC, but the introduction of a veto scale can introduce large logarithms that may need to be resummed. We present an implementation of jet-veto resummation for color-singlet processes at the level of N$^3$LL$_\text{p}$ matched to fixed-order NNLO predictions. Our public code MCFM allows for predictions of a single boson, such as $Z/\gamma^*$, $W^{\pm}$ or $H$, or with a pair of vector bosons, such as $W^+W^-$, $W^{\pm} Z$ or $ZZ$. The implementation relies on recent calculations of the soft and beam functions in the presence of a jet veto over all rapidities, with jets defined using a sequential recombination algorithm with jet radius $R$. However one of the ingredients that is required to reach full N$^3$LL accuracy is only known approximately, hence N$^3$LL$_\text{p}$. We describe in detail our formalism and compare with previous public codes that operate at the level of NNLL. Our higher-order predictions improve significantly upon NNLL calculations by reducing theoretical uncertainties. We demonstrate this by comparing our predictions with ATLAS and CMS results.

hep-ph↗

arXiv2022

Transverse momentum resummation at N3LL+NNLO for diboson processes

Diboson processes are one of the most accessible and stringent probes of the Standard Model's electroweak gauge structure at the LHC. They will be probed at the percent level at the high-luminosity LHC, challenging current theory predictions. We present transverse momentum resummed calculations at N3LL+NNLO for the processes $ZZ$, $WZ$, $WH$ and $ZH$, compare our predictions with most recent LHC data and present predictions at 13.6 TeV including theory uncertainty estimates. For $W^+W^-$ production we further present jet-veto resummed results at N3LLp+NNLO. Our calculations will be made publicly available in the upcoming MCFM release and allow future analyses to take advantage of improved predictions.

hep-ph↗

arXiv2022

Report of the Topical Group on Top quark physics and heavy flavor production for Snowmass 2021

This report summarizes the work of the Energy Frontier Topical Group on EW Physics: Heavy flavor and top quark physics (EF03) of the 2021 Community Summer Study (Snowmass). It aims to highlight the physics potential of top-quark studies and heavy-flavor production processes (bottom and charm) at the HL-LHC and possible future hadron and lepton colliders and running scenarios.

hep-ph↗

arXiv2022

Fiducial Drell-Yan production at the LHC improved by transverse-momentum resummation at N$^4$LL+N$^3$LO

Drell-Yan production is one of the precision cornerstones of the LHC, serving as calibration for measurements such as the $W$-boson mass. Its extreme precision at the level of 1% challenges theory predictions at the highest level. We present the first independent calculation of Drell-Yan production at order $\alpha_s^3$ in transverse-momentum ($q_T$) resummation improved perturbation theory. Our calculation reaches the state-of-the-art through inclusion of the recently published four loop rapidity anomalous dimension and three loop massive axial-vector contributions. We compare to the most recent data from CMS with fiducial and differential cross-section predictions and find excellent agreement at the percent level. Our resummed calculation including the matching to $Z$+jet production at NNLO is publicly available in the upcoming CuTe-MCFM 10.3 release and allows for theory-data comparison at an unprecedented level.

hep-ph↗

arXiv2022

Computational challenges for multi-loop collider phenomenology

Precision measurements at the LHC and future colliders require theory predictions with uncertainties at the percent level for many observables. Theory uncertainties due to the perturbative truncation are particularly relevant and must be reduced to fully exploit the physics potential of collider experiments. In recent years the theoretical high energy physics community has made tremendous analytical and numerical advances to address this challenge. In this white paper, we survey state-of-the-art calculations in perturbative quantum field theory for collider phenomenology with a particular focus on the computational requirements at high perturbative orders. We show that these calculations can have specific high-performance-computing (HPC) profiles that should to be taken into account in future HPC resource planning.

hep-ph↗

arXiv2021

Testing parton distribution functions with t-channel single-top-quark production

The production of single top-quarks in the t-channel at hadron colliders imposes strong analytic constraints on parton distribution functions (PDFs) through its double deeply inelastic scattering (DDIS) form. We exploit this to provide novel consistency checks between LO, NLO and NNLO PDF fits and propose to include it as a constraint in future PDF fits. Furthermore, while it is well-known that the b-quark PDF is highly sensitive to the b-quark mass, we show that the treatment of this systematic uncertainty is still incomplete, fragmented or outright missing at the moment. Consequently, we conclude that the b-quark mass uncertainty is the dominant but so far broadly neglected theory uncertainty for this process.

hep-ph↗

arXiv2021

The Diphoton $q_T$ spectrum at N$^3$LL$^\prime$+NNLO

We present a $q_T$-resummed calculation of diphoton production at order N$^3$LL$^\prime$+NNLO. To reach the primed level of accuracy we have implemented the recently published three-loop $\mathcal{O}(α_s^3)$ virtual corrections in the $q\bar{q}$ channel and the three-loop transverse momentum dependent beam functions and combined them with the existing infrastructure of CuTe-MCFM, a code performing resummation at order N$^3$LL. While the primed predictions are parametrically not more accurate, one typically observes from lower orders and other processes that they are the dominant effect of the next order. We include in both the $q\bar{q}$ and loop-induced $gg$ channel the hard contributions consistently together at order $α_s^3$ and find that the resummed $q\bar{q}$ channel without matching stabilizes indeed. Due to large matching corrections and large contributions and uncertainties from the $gg$ channel, the overall improvements are small though. We furthermore study the effect of hybrid-cone photon isolation and hard-scale choice on our fully matched results to describe the ATLAS 8 TeV data and find that the hybrid-cone isolation destroys agreement at small $q_T$.

hep-ph↗

arXiv2021

Hadronic vacuum polarization using gradient flow

The gradient-flow operator product expansion for QCD current correlators including operators up to mass dimension four is calculated through NNLO. This paves an alternative way for efficient lattice evaluations of hadronic vacuum polarization functions. In addition, flow-time evolution equations for flowed composite operators are derived. Their explicit form for the non-trivial dimension-four operators of QCD is given through order $α_s^3$.

hep-lat↗

arXiv2021

Single-top-quark production in the $t$-channel at NNLO

We present a calculation of t-channel single-top-quark production and decay in the five-flavor scheme at NNLO. Our results resolve a disagreement between two previous calculations of this process that found a difference in the inclusive cross section at the level of the NNLO coefficient itself. We compare in detail with the previous calculations at the inclusive, differential and fiducial level including b-quark tagging at a fixed scale $μ=m_t$. In addition, we advocate the use of double deep inelastic scattering (DDIS) scales ($μ^2=Q^2$ for the light-quark line and $μ^2=Q^2+m_t^2$ for the heavy-quark line) that maximize perturbative stability and allow for robust scale uncertainties. All NNLO and NLO$\,\otimes\,$NLO contributions for production and decay are included in the on-shell and vertex-function approximation. We present fiducial and differential results for a variety of observables used in Standard Model and Beyond Standard Model analyses, and find an important difference between the NLO and NNLO predictions of exclusive $t+n$-jet cross sections. Overall we find that NNLO corrections are crucial for a precise identification of the t-channel process.

hep-ph↗

arXiv2021

Challenges in Monte Carlo event generator software for High-Luminosity LHC

We review the main software and computing challenges for the Monte Carlo physics event generators used by the LHC experiments, in view of the High-Luminosity LHC (HL-LHC) physics programme. This paper has been prepared by the HEP Software Foundation (HSF) Physics Event Generator Working Group as an input to the LHCC review of HL-LHC computing, which has started in May 2020.

hep-ph↗

arXiv2020

Fiducial $q_T$ resummation of color-singlet processes at N$^3$LL+NNLO

We present a framework for $q_T$ resummation at N$^3$LL+NNLO accuracy for arbitrary color-singlet processes based on a factorization theorem in SCET. Our implementation CuTe-MCFM is fully differential in the Born kinematics and matches to large-$q_T$ fixed-order predictions at relative order $α_s^2$. It provides an efficient way to estimate uncertainties from fixed-order truncation, resummation, and parton distribution functions. In addition to $W^\pm$, $Z$ and $H$ production, also the diboson processes $γγ,Zγ,ZH$ and $W^\pm H$ are available, including decays. We discuss and exemplify the framework with several direct comparisons to experimental measurements as well as inclusive benchmark results. In particular, we present novel results for $γγ$ and $Zγ$ at N$^3$LL+NNLO and discuss in detail the power corrections induced by photon isolation requirements.

hep-ph↗

arXiv2020

HL-LHC Computing Review: Common Tools and Community Software

Common and community software packages, such as ROOT, Geant4 and event generators have been a key part of the LHC's success so far and continued development and optimisation will be critical in the future. The challenges are driven by an ambitious physics programme, notably the LHC accelerator upgrade to high-luminosity, HL-LHC, and the corresponding detector upgrades of ATLAS and CMS. In this document we address the issues for software that is used in multiple experiments (usually even more widely than ATLAS and CMS) and maintained by teams of developers who are either not linked to a particular experiment or who contribute to common software within the context of their experiment activity. We also give space to general considerations for future software and projects that tackle upcoming challenges, no matter who writes it, which is an area where community convergence on best practice is extremely useful.

physics.comp-ph↗

arXiv2019

Precision phenomenology with MCFM

Without proper control of numerical and methodological errors in theoretical predictions at the per mille level it is not possible to study the effect of input parameters in current hadron-collider measurements at the required precision. We present a new version of the parton-level code MCFM that achieves this requirement through its highly-parallelized nature, significant performance improvements and new features. An automatic differential cutoff extrapolation is introduced to assess the cutoff dependence of all results, thus ensuring their reliability and potentially improving fixed-cutoff results by an order of magnitude. The efficient differential study of PDF uncertainties and PDF set differences at NNLO, for multiple PDF sets simultaneously, is achieved by exploiting correlations. We use these improvements to study uncertainties and PDF sensitivity at NNLO, using 371 PDF set members. The work described here permits NNLO studies that were previously prohibitively expensive, and lays the groundwork necessary for a future implementation of NNLO calculations with a jet at Born level in MCFM.

hep-ph↗

arXiv2019

Off-shell single-top-quark production in the Standard Model Effective Field Theory

We present a fully differential and spin-dependent $t$-channel single-top-quark calculation at next-to-leading order (NLO) in QCD including off-shell effects by using the complex mass scheme in the Standard Model (SM) and in the Standard Model Effective Field Theory (SMEFT). We include all relevant SMEFT operators at $1/Λ^2$ that contribute at NLO in QCD for a fully consistent comparison to the SM at NLO. In addition, we include chirality flipping operators that do not interfere with the SM amplitude and contribute only at $1/Λ^4$ with a massless $b$-quark. Such higher order effects are usually captured by considering anomalous right-handed $Wtb$ and left-handed $Wtb$ tensor couplings. Despite their formal suppression in the SMEFT, they describe an important class of models for new physics. Our calculation and analysis framework is publicly available in MCFM.

hep-ph↗

arXiv2019

Results and techniques for higher order calculations within the gradient-flow formalism

We describe in detail the implementation of a systematic perturbative approach to observables in the QCD gradient-flow formalism. This includes a collection of all relevant Feynman rules of the five-dimensional field theory and the composite operators considered in this paper. Tools from standard perturbative calculations are used to obtain Green's functions at finite flow time $t$ at higher orders in perturbation theory. The three-loop results for the quark condensate at finite $t$ and the conversion factor for the "ringed" quark fields to the $\overline{\mbox{MS}}$ scheme are presented as applications. We also re-evaluate an earlier result for the three-loop gluon condensate, improving on its accuracy.

hep-lat↗