arXiv subjects

Rob G. E. Timmermans

Publications and source records attributed to Rob G. E. Timmermans.

17 recordsLinked to original sources

arXiv2026

Decomposition of the axial-vector current in a finite box

We consider the matrix element of the axial-vector current between two nucleon states in a finite box. Starting from the chiral Lagrangian density with nucleon and Delta-isobar degrees of freedom, we study the finite-volume effects at the one-loop level. We show that the standard decomposition into the axial-vector and pseudoscalar form factor is incomplete in a finite box. We derive expressions for the complete set of in-box form factors at one loop, and demonstrate how to extract the full set from lattice correlation functions. We verify that the axial Ward identity holds in the chiral limit. We derive the one-loop expressions for the pseudoscalar form factor and verify that the in-box axial Ward identity away from the chiral limit is fulfilled also. Selected numerical results are shown for two flavor-SU(2) lattice ensembles. Sizable finite-volume effects are observed, with an important role for the Delta-isobar. We discuss the implications of our results for lattice studies of the axial-vector current. We conclude that full finite-box results are crucial for a precise determination of the form factors.

hep-lat↗

arXiv2026

Probing $P,T$-Symmetry Violation with Optically Trapped Asymmetric Top Molecules

Searches for $P,T$-violating electromagnetic moments are among the most sensitive probes of physics beyond the Standard Model. Extending beyond current limits will benefit from molecules with fully controllable orientation at low electric fields, long coherence times, and laser coolability---all offered by asymmetric top molecules (ATMs). Exploiting the intrinsic rotational $K$-doubling in ATMs and the associated long-lived ($T_1 \gtrsim 10$ s) parity doublets afforded by $C_{2v}$ symmetry and nuclear-spin statistics, these species combine large electric polarizability with long coherence times in modest laboratory fields. We study alkaline-earth(-like) monoamides, $\mathcal{M}$--NH$_2$ ($\mathcal{M}$ = Ca, Sr, Ba, Yb, Ra), which possess favorable electronic structure for laser cooling. We perform \textit{ab initio} calculations of fine and hyperfine constants, identifying the importance of relativistic effects in the spin-rotation tensor. An effective Hamiltonian then models the rotational and hyperfine structure of the vibronic ground state, quantifying electron electric dipole moment (EDM) sensitivities and identifying feasible measurement schemes. We compute the effect of external fields and identify engineered clock transitions that suppress sensitivity to external perturbations while retaining strong EDM sensitivity, and characterize the magic trapping conditions that null differential light shifts in an optical trap. Under these conditions we project a statistical electron-EDM sensitivity over an order of magnitude beyond current best experimental limits, with further gains available from increased molecule number and coherence time. Our results establish asymmetric top molecules as a tunable platform for sensitive symmetry-violation measurements with long coherence times.

physics.atom-ph↗

arXiv2026

The axial-vector form factor of the nucleon in a finite box

We consider the axial-vector form factor of the nucleon in a finite box. Starting from the chiral Lagrangian with nucleon and Delta-isobar degrees of freedom, we address, at the one-loop level, the impact of two types of finite-volume effects. On the one hand, there are the implicit effects from the in-box values of the nucleon and Delta-isobar masses. On the other hand, there are the explicit effects caused by computing the in-box loop integrals with the values of the nucleon and Delta-isobar masses obtained in the infinite-volume limit. Selected numerical results are shown for three lattice ensembles. We show that the implicit effects dominate the in-box form factor. Our results are presented in terms of a set of basis functions that generalize the Passarino-Veltman reduction scheme to the finite-box case, such that only scalar loop integrals have to be performed. The techniques we developed are more generally relevant for lattice studies of hadronic quantities.

hep-lat↗

arXiv2025

2D transverse laser cooling of a hexapole focused beam of cold BaF molecules

A cryogenic buffer gas beam, an electrostatic hexapole lens, and 2D transverse Doppler laser cooling are combined to produce a bright beam of barium monofluoride ($^{138}$Ba$^{19}$F) molecules. Experimental results and trajectory simulations are used to study the laser cooling effect as a function of laser detuning, laser power, laser alignment, and interaction time. A scattering rate of 6.1(1.4) $\times 10^{5}$ s$^{-1}$ on the laser cooling transition is obtained; this is $14 \%$ of the expected maximum, which is attributed to limited control of the magnetic field used to remix dark states. Using 3 tuneable lasers with appropriate sidebands and detuning, each molecule scatters approximately 400 photons during 2D laser cooling, limited by the interaction time and scattering rate. Leaks to dark states are less than 10$\%$. The experimental results are used to benchmark the trajectory simulations to predict the achievable flux 3.5 m downstream for a planned $e$EDM experiment.

physics.atom-ph↗

arXiv2024

Manipulating a beam of barium fluoride molecules using an electrostatic hexapole

An electrostatic hexapole lens is used to manipulate the transverse properties of a beam of barium fluoride molecules from a cryogenic buffer gas source. The spatial distribution of the beam is measured by recording state-selective laser-induced fluorescence on an emccd camera, providing insight into the intensity and transverse position spread of the molecular beam. Although the high mass and unfavorable Stark shift of barium fluoride pose a considerable challenge, the number of molecules in the low-field seeking component of the N=1 state that pass a 4 mm diameter aperture 712 mm behind the source is increased by a factor of 12. Furthermore, it is demonstrated that the molecular beam can be displaced by up to +/-5 mm by moving the hexapole lens. Our measurements agree well with numerical trajectory simulations. We discuss how electrostatic lenses may be used to increase the sensitivity of beam experiments such as the search for the electric dipole moment of the electron.

physics.atom-ph↗

arXiv2024

A novel method to determine the phase-space distribution of a pulsed molecular beam

We demonstrate a novel method to determine the longitudinal phase-space distribution of a cryogenic buffer gas beam of barium-fluoride molecules based on a two-step laser excitation scheme. The spatial resolution is achieved by a transversely aligned laser beam that drives molecules from the ground state $X^2Σ^+$ to the $A^2Π_{1/2}$ state around 860 nm, while the velocity resolution is obtained by a laser beam that is aligned counter-propagating with respect to the molecular beam and that drives the Doppler shifted $A^2Π_{1/2}$ to $D^2Σ^+$ transition around 797 nm. Molecules in the $D$-state are detected virtually background-free by recording the fluorescence from the $D-X$ transition at 413 nm. As molecules in the ground state do not absorb light at 797 nm, problems due to due to optical pumping are avoided. Furthermore, as the first step uses a narrow transition, this method can also be applied to molecules with hyperfine structure. The measured phase-space distributions, reconstructed at the source exit, show that the average velocity and velocity spread vary significantly over the duration of the molecular beam pulse. Our method gives valuable insight into the dynamics in the source and helps to reduce the velocity and increase the intensity of cryogenic buffer gas beams. In addition, transition frequencies are reported for the $X-A$ and $X-D$ transitions in barium fluoride with an absolute accuracy below 0.3 MHz.

physics.atom-ph↗

arXiv2022

Towards detection of the molecular parity violation in chiral Ru(acac)$_3$ and Os(acac)$_3$

We present a theory-experiment investigation of the helically chiral compounds Ru(acac)$_3$ and Os(acac)$_3$ as candidates for the next-generation experiments for detection of molecular parity violation (PV) in vibrational spectra. We used state-of-the-art relativistic calculations to identify optimal vibrational modes with expected PV effects exceeding by up to two orders of magnitude the projected instrumental sensitivity of the experiment under construction at the Laboratoire de Physique des Lasers in Paris. High-resolution measurements of the vibrational spectrum of Ru(acac)$_3$ carried out as the first steps towards the planned experiment are presented.

physics.chem-ph↗

arXiv2022

Axial-vector form factors of the baryon octet and chiral symmetry

We consider the axial-vector form factors of the baryon octet in flavor-SU(3) chiral perturbation theory. The baryon octet and decuplet and the pseudoscalar-meson octet are included as explicit degrees of freedom. We explore the use of on-shell meson and baryon masses in the one-loop contributions to the axial-vector form factors and focus on a consistent treatment in terms of chiral power counting. The convergence properties of such an approach are scrutinized. We discuss the potential for comparison to upcoming QCD lattice data.

hep-ph↗

arXiv2021

Systematic study and uncertainty evaluation of $P,T$-odd molecular enhancement factors in BaF

A measurement of the magnitude of the electric dipole moment of the electron (eEDM) larger than that predicted by the Standard Model (SM) of particle physics is expected to have a huge impact on the search for physics beyond the SM. Polar diatomic molecules containing heavy elements experience enhanced sensitivity to parity ($P$) and time-reversal ($T$)-violating phenomena, such as the eEDM and the scalar-pseudoscalar (S-PS) interaction between the nucleons and the electrons, and are thus promising candidates for measurements. The NL-\textit{e}EDM collaboration is preparing an experiment to measure the eEDM and S-PS interaction in a slow beam of cold BaF molecules [Eur. Phys. J. D, 72, 197 (2018)]. Accurate knowledge of the electronic structure parameters, $W_d$ and $W_s$, connecting the eEDM and the S-PS interaction to the measurable energy shifts is crucial for the interpretation of these measurements. In this work we use the finite field relativistic coupled cluster approach to calculate the $W_d$ and $W_s$ parameters in the ground state of the BaF molecule. Special attention was paid to providing a reliable theoretical uncertainty estimate based on investigations of the basis set, electron correlation, relativistic effects and geometry. Our recommended values of the two parameters, including conservative uncertainty estimates, are 3.13 $\pm$ $0.12 \times 10^{24}\frac{\text{Hz}}{e\cdot \text{cm}}$ for $W_d$ and 8.29 $\pm$ 0.12 kHz for $W_s$.

physics.atom-ph↗

arXiv2020

Nuclear spin-dependent parity-violating effects in light polyatomic molecules

Measurements of nuclear spin-dependent parity-violating (NSD-PV) effects provide an excellent opportunity to test nuclear models and to search for physics beyond the Standard Model. Molecules possess closely-spaced states with opposite parity which may be easily tuned to degeneracy to greatly enhance the observed parity-violating effects. A high-sensitivity measurement of NSD-PV effects using light triatomic molecules is in preparation [E. B. Norrgard, et al., Commun. Phys. 2, 77 (2019)]. Importantly, by comparing these measurements in light nuclei with prior and ongoing measurements in heavier systems, the contribution to NSD-PV from $Z^0$-boson exchange between the electrons and the nuclei may be separated from the contribution of the nuclear anapole moment. Furthermore, light triatomic molecules offer the possibility to search for new particles, such as the postulated $Z^{\prime}$ boson. In this work, we detail a sensitive measurement scheme and present high-accuracy molecular and nuclear calculations needed for interpretation of NSD-PV experiments on triatomic molecules composed of light elements Be, Mg, N, and C. The ab initio nuclear structure calculations, performed within the No-Core Shell Model (NCSM) provide a reliable prediction of the magnitude of different contributions to the NSD-PV effects in the four nuclei. These results differ significantly from the predictions of the standard single-particle model and highlight the importance of including many-body effects in such calculations. In order to extract the NSD-PV contributions from measurements, a parity-violating interaction parameter $W_{\text{PV}}$, which depends on molecular structure, needs to be known with high accuracy. We have calculated these parameters for the triatomic molecules of interest using the relativistic coupled-cluster approach.

physics.atom-ph↗

arXiv2020

On the axial-vector form factor of the nucleon and chiral symmetry

We consider the chiral Lagrangian with nucleon, isobar, and pion degrees of freedom. The baryon masses and the axial-vector form factor of the nucleon are derived at the one-loop level. We explore the impact of using on-shell baryon masses in the loop expressions. As compared to results from conventional chiral perturbation theory we find significant differences. An application to QCD lattice data is presented. We perform a global fit to the available lattice data sets for the baryon masses and the nucleon axial-vector form factor, and determine the low-energy constants relevant at N$^3$LO for the baryon masses and at N$^2$LO for the form factor. Partial finite-volume effects are considered. We point out that the use of on-shell masses in the loops results in non-analytic behavior of the baryon masses and the form factor as function of the pion mass, which becomes prominent for larger lattice volumes than presently used.

hep-lat↗

arXiv2019

Enhanced $\mathcal{P,T}$-violating nuclear magnetic quadrupole moment effects in laser-coolable molecules

Nuclear magnetic quadrupole moments (MQMs), like intrinsic electric dipole moments of elementary particles, violate both parity and time-reversal symmetry and therefore probe physics beyond the Standard Model of particle physics. We report on accurate relativistic coupled cluster calculations of the nuclear MQM interaction constants in BaF, YbF, BaOH, and YbOH. We elaborate on estimates of the uncertainty of our results. The implications of experiments searching for nonzero nuclear MQMs are discussed.

physics.atom-ph↗

arXiv2019

High accuracy theoretical investigations of CaF, SrF, and BaF and implications for laser-cooling

The NL-eEDM collaboration is building an experimental setup to search for the permanent electric dipole moment of the electron in a slow beam of cold barium fluoride molecules [Eur. Phys. J. D, 72, 197 (2018)]. Knowledge of molecular properties of BaF is thus needed to plan the measurements and in particular to determine an optimal laser-cooling scheme. Accurate and reliable theoretical predictions of these properties require incorporation of both high-order correlation and relativistic effects in the calculations. In this work theoretical investigations of the ground and the lowest excited states of BaF and its lighter homologues, CaF and SrF, are carried out in the framework of the relativistic Fock-space coupled cluster (FSCC) and multireference configuration interaction (MRCI) methods. Using the calculated molecular properties, we determine the Franck-Condon factors (FCFs) for the $A^2Π_{1/2} \rightarrow X^2Σ^{+}_{1/2}$ transition, which was successfully used for cooling CaF and SrF and is now considered for BaF. For all three species, the FCFs are found to be highly diagonal. Calculations are also performed for the $B^2Σ^{+}_{1/2} \rightarrow X^2Σ^{+}_{1/2}$ transition recently exploited for laser-cooling of CaF; it is shown that this transition is not suitable for laser-cooling of BaF, due to the non-diagonal nature of the FCFs in this system. Special attention is given to the properties of the $A'^2Δ$ state, which in the case of BaF causes a leak channel, in contrast to CaF and SrF species where this state is energetically above the excited states used in laser-cooling. We also present the dipole moments of the ground and the excited states of the three molecules and the transition dipole moments (TDMs) between the different states.

physics.atom-ph↗

arXiv2019

Enhancement factor for the electric dipole moment of the electron in the BaOH and YbOH molecules

Polyatomic polar molecules are promising systems for future experiments that search for violation of time-reversal and parity symmetries due to their advantageous electronic and vibrational structure, which allows laser cooling, full polarisation of the molecule, and reduction of systematic effects [I. Kozyryev and N.R. Hutzler, Phys, Rev. Lett. {\bf 119}, 133002 (2017)]. In this work we investigate the enhancement factor of the electric dipole moment of the electron ($E_\text{eff}$) in the triatomic monohydroxide molecules BaOH and YbOH within the high-accuracy relativistic coupled cluster method. The recommended $E_\text{eff}$ values of the two systems are 6.65 $\pm$ 0.15 GV/cm and 23.4 $\pm$ 1.0 GV/cm, respectively. We compare our results with similar calculations for the isoelectronic diatomic molecules BaF and YbF, which are currently used in experimental search for $P,T$-odd effects in molecules. The $E_\text{eff}$ values prove to be very close, within about 1.5 $\%$ difference in magnitude between the diatomic and the triatomic compounds. Thus, BaOH and YbOH have a similar enhancement of the electron electric dipole moment, while benefiting from experimental advantages, and can serve as excellent candidates for next-generation experiments.

physics.atom-ph↗

arXiv2018

Measuring the electric dipole moment of the electron in BaF

We investigate the merits of a measurement of the permanent electric dipole moment of the electron ($e$EDM) with barium monofluoride molecules, thereby searching for phenomena of CP violation beyond those incorporated in the Standard Model of particle physics. Although the BaF molecule has a smaller enhancement factor in terms of the effective electric field than other molecules used in current studies (YbF, ThO and ThF$^+$), we show that a competitive measurement is possible by combining Stark-deceleration, laser-cooling and an intense primary cold source of BaF molecules. With the long coherent interaction times obtainable in a cold beam of BaF, a sensitivity of $5\times10^{-30}$ e$\cdot$cm for an $e$EDM is feasible. We describe the rationale, the challenges and the experimental methods envisioned to achieve this target.

physics.atom-ph↗

arXiv2013

Polarization observables in low-energy antiproton-proton scattering

We investigate the polarization parameters in low-energy antiproton-proton elastic ($\bar{p}p\rightarrow\bar{p}p$) and charge-exchange ($\bar{p}p\rightarrow\bar{n}n$) scattering. The predictions for unmeasured observables are based on our new energy-dependent partial-wave analysis of all antiproton-proton scattering data below 925 MeV/$c$ antiproton laboratory momentum, which gives an optimal description of the existing database. Sizable and remarkable spin effects are observed, in particular for charge-exchange scattering. These result from the spin dependence of the long- and medium-range one- and two-pion exchange antinucleon-nucleon potential and the state dependence of the parametrized short-range interaction. We study the possibility of polarizing a circulating antiproton beam with a polarized proton target by exploiting the spin dependence of the $\bar{p}p$ total cross section. It appears feasible to achieve a significant transverse polarization of an antiproton beam within a reasonable time.

hep-ph↗

arXiv2012

Energy-dependent partial-wave analysis of all antiproton-proton scattering data below 925 MeV/c

We present a new energy-dependent partial-wave analysis of all antiproton-proton elastic and charge-exchange scattering data below 925 MeV/c antiproton laboratory momentum. The long-range parts of the chiral one- and two-pion exchange interactions are included exactly. The short-range interactions, including the coupling to the mesonic annihilation channels, are parametrized by a complex boundary condition at a radius of r=1.2 fm. The updated database, which includes significantly more high-quality charge-exchange data, contains 3749 scattering data. The fit results in chi^2_min/N_df=1.048, where N_df=3578 is the number of degrees of freedom. We discuss the description of the experimental data and we present the antiproton-proton phase-shift parameters.

hep-ph↗