arXiv subjects

Jesús Pérez-Ríos

Publications and source records attributed to Jesús Pérez-Ríos.

At least 55 records · Page 3Linked to original sources

arXiv2021

Electric field dissociation of weakly bound molecular ions

We present a full quantal study on the dissociation of a weakly bound molecular ion in the presence of an external time-dependent electric field. We focus on the dissociation dynamics of a molecular ion in a Paul trap relevant for atom-ion hybrid traps. Our results show that a weakly bound molecular ion survives in a Paul trap giving a theoretical ground to previous experimental findings [A. Krükow et al. Phys. Rev. Lett. 116, 193201 (2016) and A. Mohammadi et al. Phys. Rev. Research 3, 013196 (2021)]. In particular, we find that weakly bound molecular ions are more likely to survive in traps with large RF frequency. Similarly, we show that applying an electric field ramp is an efficient method to state-selectively detect weakly bound molecular ions, analogous to the well-known selective field ionization technique applied in Rydberg atoms, that it may also be used to detect these species in atom-ion hybrid traps.

physics.atom-ph↗

arXiv2021

Rydberg atom-ion collisions in cold environments

Low-energy collisions of Rydberg atom-ion systems are investigated theoretically. We present the parameter space associated with suitable approaches for the dynamics of Rydberg atom-ion collisions, i.e. quantum-, Langevin and classical exchange regimes, showing that for the lowest reachable temperatures a classical treatment is appropriate. A quasi-classical trajectory method is used to study charge exchange cross sections for Li$^*$-Li$^+$ and Li$^*$-Cs$^+$ at collision energies down to $1\,$K. For cold collisions we find the charge exchange cross section deviating from the $n^4$ geometric scaling. Furthermore, for low-energy collisions, we find both an influence of the ionic core-repulsion as well as variations for two different models used for describing the electron-core potential.

physics.atom-ph↗

arXiv2021

On the formation of van der Waals complexes through three-body recombination

In this work, we show that van der Waals molecules X-RG (where RG is the rare gas atom) may be created through direct three-body recombination collisions, i.e., X + RG + RG $\rightarrow$ X-RG + RG. In particular, the three-body recombination rate at temperatures relevant for buffer gas cell experiments is calculated via a classical trajectory method in hyperspherical coordinates [J. Chem. Phys. 140, 044307 (2014)]. As a result, it is found that the formation of van der Waals molecules in buffer gas cells (1 K $\lesssim T \lesssim 10$ K) is dominated by the long-range tail (distances larger than the LeRoy radius) of the X-RG interaction. For higher temperatures, the short-range region of the potential becomes more significant. Moreover, we notice that the rate of formation of van der Walls molecules is of the same order of magnitude independently of the chemical properties of X. As a consequence, almost any X-RG molecule may be created and observed in a buffer gas cell under proper conditions.

physics.chem-ph↗

arXiv2020

Cold chemistry: a few-body perspective on impurity physics of a single ion in an ultracold bath

Impurity physics is a traditional topic in condensed matter physics that nowadays is being explored in the field of ultracold gases. Among the different classes of impurities, we focus on charged impurities in an ultracold bath. When a single ion is brought in contact with an ultracold gas it is subjected to different reactive processes that can be understood from a cold chemistry approach. In this work, we present an outlook of approaches for the dynamics of a single ion in a bath of ultracold atoms or molecules, complementing the usual many-body approaches characteristic of impurity physics within condensed matter physics. In particular, we focus on the evolution of a charged impurity in different baths, including external time-dependent trapping potentials and we explore the effect of the external laser sources present in ion-neutral hybrid traps into the lifetime of an impurity.

cond-mat.quant-gas↗

arXiv2020

Predicting second virial coefficients of organic and inorganic compounds using Gaussian Process Regression

We show that by using intuitive and accessible molecular features it is possible to predict the temperature-dependent second virial coefficient of organic and inorganic compounds using Gaussian process regression. In particular, we built a low dimensional representation of features based on intrinsic molecular properties, topology and physical properties relevant for the characterization of molecule-molecule interactions. The featurization was used to predict second virial coefficients in the interpolative regime with a relative error $\lesssim 1\% $ and to extrapolate the prediction to temperatures outside of the training range for each compound in the dataset with a relative error of 2.14\%. Additionally, the model's predictive abilities were extended to organic molecules unseen in the training process, yielding a prediction with a relative error of 2.66\%. Therefore, apart from being robust, the present Gaussian process regression model is extensible to a variety of organic and inorganic compounds.

physics.chem-ph↗

arXiv2020

Characterisation of the $b^3Σ^+, v=0$ State and Its Interaction with the $A^1Π$ State in Aluminium Monofluoride

Recently, we determined the detailed energy level structure of the $X^1Σ^+$, $A^1Π$ and $a^3Π$ states of AlF that are relevant to laser cooling and trapping experiments. Here, we investigate the $b^3Σ^+, v=0$ state of the AlF molecule. A rotationally-resolved (1+2)-REMPI spectrum of the $b^3Σ^+, v'=0 \leftarrow a^3Π, v''=0$ band is presented and the lifetime of the $b^3Σ^+, v=0$ state is measured to be 190(2)~ns. Hyperfine-resolved, laser-induced fluorescence spectra of the $b^3Σ^+, v'=0 \leftarrow X^1Σ^+, v''=1$ and the $b^3Σ^+, v'=0 \leftarrow a^3Π, v''=0$ bands are recorded to determine fine- and hyperfine structure parameters. The interaction between the $b^3Σ^+, v=0$ and the nearby $A^1Π$ state is studied and the magnitude of the spin-orbit coupling between the two electronic states is derived using three independent methods to give a consistent value of 10(1)~cm$^{-1}$. The triplet character of the $A$ state causes an $A\rightarrow a$ loss from the main $A-X$ laser cooling cycle below the 10$^{-6}$ level.

physics.atom-ph↗

arXiv2020

Controlling the nature of a charged impurity in a bath of Feshbach dimers

We theoretically study the dynamics of a trapped ion that is immersed in an ultracold gas of weakly bound atomic dimers created by a Feshbach resonance. Using quasi-classical simulations, we find a crossover from dimer dissociation to molecular ion formation depending on the binding energy of the dimers. The location of the crossover strongly depends on the collision energy and the time-dependent fields of the Paul trap. Deeply bound dimers lead to fast molecular ion formation, with rates approaching the Langevin collision rate $Γ'_\text{L}\approx4.8\times10^{-9}\,$cm$^3$s$^{-1}$. The kinetic energies of the created molecular ions have a median below $1\,$mK, such that they will stay confined in the ion trap. We conclude that interacting ions and Feshbach molecules may provide a novel approach towards the creation of ultracold molecular ions with applications in precision spectroscopy and quantum chemistry.

physics.atom-ph↗

arXiv2020

A data-driven approach to determine dipole moments of diatomic molecules

We present a data-driven approach for the prediction of the electric dipole moment of diatomic molecules, which is one of the most relevant molecular properties. In particular, we apply Gaussian process regression to a novel dataset to show that dipole moments of diatomic molecules can be learned, and hence predicted, with a relative error <5%. The dataset contains the dipole moment of 162 diatomic molecules, the most exhaustive and unbiased dataset of dipole moments up to date. Our findings show that the dipole moment of diatomic molecules depends on atomic properties of the constituents atoms: electron affinity and ionization potential, as well as on (a feature related to) the first derivative of the electronic kinetic energy at the equilibrium distance.

physics.chem-ph↗

arXiv2020

Life and death of a cold BaRb$^+$ molecule inside an ultracold cloud of Rb atoms

We study the evolution of a single BaRb$^+$ molecule while it continuously collides with ultracold Rb atoms. The initially weakly-bound molecule can undergo a sequence of elastic, inelastic, reactive, and radiative processes. We investigate these processes by developing methods for discriminating between different ion species, electronic states, and kinetic ion energy ranges. By comparing the measurements to model calculations we obtain a consistent description of the typical trajectory of the ion through the manifold of available atomic and molecular states. As a further result, we determine rates for collisional and radiative relaxation as well as photodissociation, spin-flip collisions, and chemical reactions.

physics.atom-ph↗

arXiv2020

On the universality of spectroscopic constants of diatomic molecules

We show, through a machine learning approach, that the equilibrium distance, harmonic vibrational frequency, and binding energy of diatomic molecules are universally related. In particular, the relationships between spectroscopic constants are valid independently of the molecular bond. However, they depend strongly on the group and period of the constituent atoms. As a result, we show that by employing the group and period of atoms within a molecule, the spectroscopic constants are predicted with an accuracy of $\lesssim 5\%$. Finally, the same universal relationships are satisfied when spectroscopic constants from {\it ab initio} and density functional theory (DFT) electronic structure methods are employed.

physics.chem-ph↗

arXiv2019

$C_6$ coefficients for interacting Rydberg atoms and alkali-metal dimers

We study the van der Waals interaction between Rydberg alkali-metal atoms with fine structure ($n^2L_j$; $L\leq 2$) and heteronuclear alkali-metal dimers in the ground rovibrational state ($X^1Σ^+$; $v=0$, $J=0$). We compute the associated $C_6$ dispersion coefficients of atom-molecule pairs involving $^{133}$Cs and $^{85}$Rb atoms interacting with KRb, LiCs, LiRb, and RbCs molecules. The obtained dispersion coefficients can be accurately fitted to a state-dependent polynomial $O(n^7)$ over the range of principal quantum numbers $40\leq n\leq 150$. For all atom-molecule pairs considered, Rydberg states $n^2S_j$ and $n^2P_j$ result in attractive $1/R^6$ potentials. In contrast, $n^2D_j$ states can give rise to repulsive potentials for specific atom-molecule pairs. The interaction energy at the LeRoy distance approximately scales as $n^{-5}$ for $n>40$. For intermediate values of $n\lesssim40$, both repulsive and attractive interaction energies in the order of $ 10-100 \,μ$K can be achieved with specific atomic and molecular species. The accuracy of the reported $C_6$ coefficients is limited by the quality of the atomic quantum defects, with relative errors $ΔC_6/C_6$ estimated to be no greater than 1\% on average.

physics.atom-ph↗

arXiv2019

Current and future perspectives of positronium and muonium spectroscopy as dark sectors probe

Positronium and Muonium are purely leptonic atoms and hence free of an internal sub-structure. This qualifies them as potentially well suited systems to probe the existence of physics beyond the Standard Model. We hence carry out a comprehensive study of the sensitivity of current Positronium and Muonium precision spectroscopy to several new physics scenarios. By taking properly into account existing experimental and astrophysical probes, we define clear experimental targets to probe new physics via precise spectroscopy. For Positronium we find that, in order for the spectroscopy bounds to reach a sensitivity comparable to the electron gyromagnetic factor, an improvement of roughly five orders of magnitude from state-of-the-art precision is required, which would be a challenge based on current technology. More promising is instead the potential reach of Muonium spectroscopy: in the next few years experiments like Mu-MASS at PSI will probe new regions of the parameter space testing the existence of medium/short range (MeV and above) spin-dependent and spin-independent dark forces between electrons and muons.

hep-ph↗

arXiv2019

Direct Detection of Spin-(In)dependent Nuclear Scattering of Sub-GeV Dark Matter Using Molecular Excitations

We propose a novel direct detection concept to search for dark matter with 100~keV to 100~MeV masses. Such dark matter can scatter off molecules in a gas and transfer an $\mathcal{O}(1)$ fraction of its kinetic energy to excite a vibrational and rotational state. The excited ro-vibrational mode relaxes rapidly and produces a spectacular multi-infrared-photon signal, which can be observed with ultrasensitive photodetectors. We discuss in detail a gas target consisting of carbon monoxide molecules, which enable efficient photon emission even at a relatively low temperature and high vapor pressure. The emitted photons have an energy in the range 180~meV to 265~meV. By mixing together carbon monoxide molecules of different isotopes, including those with an odd number of neutrons, we obtain sensitivity to both spin-independent interactions and spin-dependent interactions with the neutron. We also consider hydrogen fluoride, hydrogen bromide, and scandium hydride molecules, which each provide sensitivity to spin-dependent interactions with the proton. The proposed detection concept can be realized with near-term technology and allows for the exploration of orders of magnitude of new dark matter parameter space.

hep-ph↗

arXiv2018

Universal temperature dependence of the ion-neutral-neutral three-body recombination rate

A classical approach based on hyperspherical coordinates is used to derive a first principle formulation of the the ion-neutral-neutral three-body recombination rate, A$^+$ + A + A $\rightarrow$ $\text{A}_2^+$ + A, in terms of the mass of the atom and its polarizability. The robustness and predictive power of our approach have been checked in comparison with experimental data of rare gas three-body recombination as well as previous theoretical frameworks, which need one or two atom-dependent fitting parameters. Thus, our approach is general and applicable to any ion-atom-atom system.

physics.atom-ph↗

arXiv2018

Observation of Quantum Interference and Coherent Control in a Photochemical Reaction

Coherent control of reactants remains a longstanding challenge in quantum chemistry. In particular, we have studied laser-induced molecular formation (photoassociation) in a Raman-dressed spin-orbit-coupled 87Rb Bose-Einstein condensate, whose spin quantum state is a superposition of multiple bare spin components. In contrast to the notably different photoassociation-induced fractional atom losses observed for the bare spin components of a statistical mixture, a superposition state with a comparable spin composition displays the same fractional loss on every spin component. We interpret this as the superposition state itself undergoing photoassociation. For superposition states induced by a large Raman coupling and zero Raman detuning, we observe a nearly complete suppression of the photoassociation rate. This suppression is consistent with a model based upon quantum destructive interference between two photoassociation pathways for colliding atoms with different spin combinations. This model also explains the measured dependence of the photoassociation rate on the Raman detuning at a moderate Raman coupling. Our work thus suggests that preparing atoms in quantum superpositions may represent a powerful new technique to coherently control photochemical reactions.

quant-ph↗

arXiv2018

Vibrational quenching and reactive processes of weakly bound molecular ion-atom collisions at cold temperatures

We present a study of vibrational quenching and chemical processes of molecular ions immersed in an ultracold atomic gas by means of the quasi-classical trajectory (QCT) method. In particular, BaRb$^+(v)$ + Rb collisions are studied at cold temperatures revealing a highly efficient energy transfer between the translational degrees of freedom and internal degrees of the molecular ion. Thus leading to a large vibrational quenching cross section which follows the Langevin capture model prediction. These results play a key role on the understanding of relaxation phenomena of cold molecular ions in ultracold gases as well as in the fate of the molecules emerging trough ion-neutral-neutral three-body recombination in an cold and dense environment.

physics.atom-ph↗

arXiv2017

Genetic fitting techniques for precision ultracold spectroscopy

We present development of a genetic algorithm for fitting potential energy curves of diatomic molecules to experimental data. Our approach does not involve any functional form for fitting, which makes it a general fitting procedure. In particular, it takes in a guess potential, perhaps from an $ab \ initio$ calculation, along with experimental measurements of vibrational binding energies, rotational constants, and their experimental uncertainties. The fitting procedure is able to modify the guess potential until it converges to better than 1% uncertainty, as measured by $\barχ^2$. We present the details of this technique along with a comparison of potentials calculated by our genetic algorithm and the state of the art fitting techniques based on inverted perturbation approach for the $X \ ^1Σ^+$ and $C \ ^1Σ^+$ potentials of lithium-rubidium.

physics.chem-ph↗

arXiv2017

Two-photon photoassociation spectroscopy of an ultracold heteronuclear molecule

We report on two-photon photoassociation (PA) spectroscopy of ultracold heteronuclear LiRb molecules. This is used to determine the binding energies of the loosely bound levels of the electronic ground singlet and the lowest triplet states of LiRb. We observe strong two-photon PA lines with power broadened line widths greater than 20 GHz at relatively low laser intensity of 30 W/cm$^{2}$. The implication of this observation on direct atom to molecule conversion using stimulated Raman adiabatic passage (STIRAP) is discussed and the prospect for electronic ground state molecule production is theoretically analyzed.

cond-mat.quant-gas↗