arXiv subjects

Frederic Hummel

Publications and source records attributed to Frederic Hummel.

18 recordsLinked to original sources

arXiv2026

Accurate Modeling of Rydberg Atoms and Their Interactions: Theory and Implementation in PairInteraction

Rydberg atoms provide a powerful platform for exploring strongly interacting quantum systems, both in free space and in structured electromagnetic environments, with growing applications in quantum technology. Accurately modeling their single-atom properties and mutual interactions is essential for interpreting experiments and designing new architectures. We present a unified theoretical framework for Rydberg atoms and their interactions based on multi-channel quantum defect theory (MQDT) and static electromagnetic Green's tensors. MQDT provides a precise description of Rydberg states of divalent atoms such as strontium and ytterbium, while the Green's tensor formalism provides a general and flexible approach for calculating interactions between two Rydberg atoms in arbitrary geometries, including modifications induced by nearby surfaces. We implement this framework in an updated version of the open-source PairInteraction software [Weber et al., J.~Phys.~B~50 (2017)]. The implementation leverages high-performance libraries and achieves speedups of one order of magnitude for pair-potential calculations compared to prior software. We demonstrate the capabilities of the framework through example applications to divalent atoms and show excellent agreement with experimental data for an exemplary Stark map of $^{174}$Yb. The modular software architecture enables the community to extend it further.

physics.atom-ph↗

arXiv2024

Fault-tolerant quantum computation with a neutral atom processor

Quantum computing experiments are transitioning from running on physical qubits to using encoded, logical qubits. Fault-tolerant computation can identify and correct errors, and has the potential to enable the dramatically reduced logical error rates required for valuable algorithms. However, it requires flexible control of high-fidelity operations performed on large numbers of qubits. We demonstrate fault-tolerant quantum computation on a quantum processor with 256 qubits, each an individual neutral Ytterbium atom. The operations are designed so that key error sources convert to atom loss, which can be detected by imaging. Full connectivity is enabled by atom movement. We demonstrate the entanglement of 24 logical qubits encoded into 48 atoms, at once catching errors and correcting for, on average 1.8, lost atoms. We also implement the Bernstein-Vazirani algorithm with up to 28 logical qubits encoded into 112 atoms, showing better-than-physical error rates. In both cases, "erasure conversion," changing errors into a form that can be detected independently from qubit state, improves circuit performance. These results begin to clear a path for achieving scientific quantum advantage with a programmable neutral atom quantum processor.

quant-ph↗

arXiv2024

Engineering Rydberg-pair interactions in divalent atoms with hyperfine-split ionization thresholds

Quantum information processing with neutral atoms relies on Rydberg excitation for entanglement generation. While the use of heavy divalent or open-shell elements, such as strontium or ytterbium, has benefits due to their optically active core and a variety of possible qubit encodings, their Rydberg structure is generally complex. For some isotopes in particular, hyperfine interactions are relevant even for highly excited electronic states. We employ multi-channel quantum defect theory to infer the Rydberg structure of isotopes with non-zero nuclear spin and perform non-perturbative Rydberg-pair interaction calculations. We find that due to the high level density and sensitivities to external fields, experimental parameters must be precisely controlled. Specifically in ${}^{87}$Sr, we study an intrinsic F\"orster resonance, unique to divalent atoms with hyperfine-split thresholds, which simultaneously provides line stability with respect to external field fluctuations and enhanced long-range interactions. Additionally, we provide parameters for pair states that can be effectively described by single-channel Rydberg series. The explored pair states provide exciting opportunities for applications in the blockade regime as well as for more exotic long-range interactions such as largely flat, distance-independent potentials.

physics.atom-ph↗

arXiv2024

$In$ $situ$ observation of non-polar to strongly polar atom-ion collision dynamics

The onset of collision dynamics between an ion and a Rydberg atom is studied in a regime characterized by a multitude of collision channels. These channels arise from coupling between a non-polar Rydberg state and numerous highly polar Stark states. The interaction potentials formed by the polar Stark states show a substantial difference in spatial gradient compared to the non-polar state leading to a separation of collisional timescales, which is observed in situ. For collision energies in the range of $k_\textrm{B}\cdot\mu$K to $k_\textrm{B}\cdot$K, the dynamics exhibit a counter-intuitive dependence on temperature, resulting in faster collision dynamics for cold - initially "slow" - systems. Dipole selection rules enable us to prepare the collision pair on the non-polar potential in a highly controlled manner, which determines occupation of the collision channels. The experimental observations are supported by semi-classical simulations, which model the pair state evolution and provide evidence for tunable non-adiabatic dynamics.

physics.atom-ph↗

arXiv2023

Kato's theorem and ultralong-range Rydberg molecules

We consider non-adiabatic coupling in the "trilobite"-like long-range Rydberg molecules created by perturbing degenerate high-$\ell$ Rydberg states with a ground-state atom. Due to the flexibility granted by the high Rydberg level density, the avoided crossings between relevant potential energy curves can become extremely narrow, leading to highly singular non-adiabatic coupling. We find that the gap between the trilobite potential curve and neighboring "butterfly" or "dragonfly" potential curves can even vanish, as in a conical intersection, if the gap closes at an internuclear distance which matches a node of the $s$-wave radial wave function. This is an unanticipated outcome of Kato's theorem.

physics.atom-ph↗

arXiv2023

Non-adiabatic interaction effects in the spectra of ultralong-range Rydberg molecules

Ultralong-range Rydberg molecules (ULRM) are highly imbalanced bound systems formed via the low-energy scattering of a Rydberg electron with a ground-state atom. We investigate for $^{23}$Na the $d$-state and the energetically close-by trilobite state, exhibiting avoided crossings that lead to the breakdown of the adiabatic Born-Oppenheimer (BO) approximation. We develop a coupled-channel approach to explore the non-adiabatic interaction effects between these electronic states. The resulting spectrum exhibits stark differences in comparison to the BO spectra, such as the existence of above-threshold resonant states without any adiabatic counterparts, and a significant rearrangement of the spectral structure as well as the localization of the eigenstates. Our study motivates the use of $^{23}$Na ULRM, as a probe to explore vibronic interaction effects on exaggerated time and length scales.

physics.atom-ph↗

arXiv2022

Vibronic interactions in trilobite and butterfly Rydberg molecules

Ultralong-range Rydberg molecules provide an exciting testbed for molecular physics at exaggerated scales. In the so-called trilobite and butterfly Rydberg molecules, the Born-Oppenheimer approximation can fail due to strong non-adiabatic couplings arising from the combination of radial oscillations and rapid energy variations in the adiabatic potential energy curves. We utilize an accurate coupled-channel treatment of the vibronic system to observe the breakdown of Born-Oppenheimer physics, such as non-adiabatic trapping and decay of molecular states found near pronounced avoided crossings in the adiabatic potential curves. Even for vibrational states localized far away from avoided crossings, a single channel model is quantitatively sufficient only after including the diagonal non-adiabatic corrections to the Born-Oppenheimer potentials. Our results indicate the importance of including non-adiabatic physics in the description of ultralong-range Rydberg molecules and in the interpretation of measured vibronic spectra.

physics.atom-ph↗

arXiv2022

Charged ultralong-range Rydberg trimers

We show that the recently observed class of long-range ion-Rydberg molecules can be divided into two families of states, which are characterised by their unique electronic structures resulting from the ion-induced admixture of quantum defect-split Rydberg $n$P states with different low-field seeking high-$l$ states. We predict that in both cases these diatomic molecular states can bind additional ground state atoms lying within the orbit of the Rydberg electron, thereby forming charged ultralong-range Rydberg molecules (ULRM) with binding energies similar to that of conventional non-polar ULRM. To demonstrate this, we consider a Rydberg atom interacting with a single ground state atom and an ion. The additional atom breaks the system's cylindrical symmetry, which leads to mixing between states that would otherwise be decoupled. The electronic structure is obtained using exact diagonalisation over a finite basis and the vibrational structure is determined using the Multi-Configuration Time-Dependent Hartree method. Due to the lobe-like structure of the electronic density, bound trimers with both linear and nonlinear geometrical configurations of the three nuclei are possible. The predicted trimer binding energies and excitation series are distinct enough from those of the ion-Rydberg dimer to be observed using current experimental techniques.

physics.atom-ph↗

arXiv2021

Synthetic dimension-induced conical intersections in Rydberg molecules

We observe a series of conical intersections in the potential energy curves governing both the collision between a Rydberg atom and a ground-state atom and the structure of Rydberg molecules. By employing the electronic energy of the Rydberg atom as a synthetic dimension we circumvent the von Neumann-Wigner theorem. These conical intersections can occur when the Rydberg atom's quantum defect is similar in size to the electron--ground-state atom scattering phase shift divided by $\pi$, a condition satisfied in several commonly studied atomic species. The conical intersections have an observable consequence in the rate of ultracold $l$-changing collisions of the type Rb$(nf)$+Rb$(5s)\to$ Rb$(nl>3)$+Rb$(5s)$. In the vicinity of a conical intersection, this rate is strongly suppressed, and the Rydberg atom becomes nearly transparent to the ground-state atom.

physics.atom-ph↗

arXiv2020

Electric field-induced wave-packet dynamics and geometrical rearrangement of trilobite Rydberg molecules

We investigate the quantum dynamics of ultra-long-range trilobite molecules exposed to homogeneous electric fields. A trilobite molecule consists of a Rydberg atom and a ground-state atom, which is trapped at large internuclear distances in an oscillatory potential due to scattering of the Rydberg electron off the ground-state atom. Within the Born-Oppenheimer approximation, we derive an analytic expression for the two-dimensional adiabatic electronic potential energy surface in weak electric fields valid up to 500 V/m. This is used to unravel the molecular quantum dynamics employing the Multi-Configurational Time-Dependent Hartree method. Quenches of the electric field are performed to trigger the wave packet dynamics including the case of field inversion. Depending on the initial wave packet, we observe radial intra-well and inter-well oscillations as well as angular oscillations and rotations of the respective one-body probability densities. Opportunities to control the molecular configuration are identified, a specific example being the possibility to superimpose different molecular bond lengths by a series of periodic quenches of the electric field.

physics.atom-ph↗

arXiv2020

An ultracold heavy Rydberg system formed from ultra-long-range molecules bound in a stairwell potential

We propose a scheme to realize a heavy Rydberg system (HRS), a bound pair of oppositely charged ions, from a gas of ultracold atoms. The intermediate step to achieve large internuclear separations is the creation of a unique class of ultra-long-range Rydberg molecules bound in a stairwell potential energy curve. Here, a ground-state atom is bound to a Rydberg atom in an oscillatory potential emerging due to attractive singlet $p$-wave electron scattering. The utility of our approach originates in the large electronic dipole transition element between the Rydberg- and the ionic molecule, while the nuclear configuration of the ultracold gas is preserved. The Rabi coupling between the Rydberg molecule and the heavy Rydberg system is typically in the MHz range and the permanent electric dipole moments of the HRS can be as large as one kilo-Debye. We identify specific transitions which place the creation of the heavy Rydberg system within immediate reach of experimental realization.

physics.atom-ph↗

arXiv2020

Observation of spin-orbit-dependent electron scattering using long-range Rydberg molecules

We present experimental evidence for spin-orbit interaction of an electron as it scatters from a neutral atom. The scattering process takes place within a Rb$_2$ ultralong-range Rydberg molecule, consisting of a Rydberg atomic core, a Rydberg electron, and a ground state atom. The spin-orbit interaction leads to characteristic level splittings of vibrational molecular lines which we directly observe via photoassociation spectroscopy. We benefit from the fact that molecular states dominated by resonant $p$-wave interaction are particularly sensitive to the spin-orbit interaction. Our work paves the way for studying novel spin dynamics in ultralong-range Rydberg molecules. Furthermore, it shows that the molecular setup can serve as a microlaboratory to perform precise scattering experiments in the low-energy regime of a few meV.

cond-mat.quant-gas↗

arXiv2019

Ultralong-range Rydberg molecules

We review ultralong-range Rydberg molecules (ULRM), which are bound states between a Rydberg atom and one or more ground-state atoms with bond lengths on the order of thousands of Bohr radii. The binding originates from multiple electron-atom scattering and leads to exotic oscillatory potential energy surfaces that reflect the probability density of the Rydberg electron. This unconventional binding mechanism opens fascinating possibilities to tune molecular properties via weak external fields, to study spin-resolved low-energy electron-atom scattering as well as to control and to probe interatomic forces in few- and many-body systems. Here, we provide an overview on recent theoretical and experimental progress in the field with an emphasis on polyatomic ULRMs, field control and spin interactions.

physics.atom-ph↗

arXiv2019

Triatomic butterfly molecules

We detail the rich electronic and vibrational structure of triatomic "butterfly" molecules, ultra-long-range Rydberg molecules bound by resonant $p$-wave scattering. We divide these molecules into two sub-classes depending on their parity under reflection of the electronic wave function through the molecular plane. The trimers with odd reflection parity have topographically smooth potential energy surfaces except near the collinear configuration. Here, the vibrational wave function is confined tightly in the symmetric-stretch and bending modes, but only loosely in the asymmetric stretch mode. The trimers with even reflection parity exhibit far richer potential surfaces with abundant minima, but only a few of these are deep enough to localize the vibrational states. These minima are correlated with the electronic wave functions of the butterfly dimer, contributing to a building principle for trimers.

physics.atom-ph↗

arXiv2019

Precision spectroscopy of negative-ion resonances in ultralong-range Rydberg molecules

The level structure of negative-ions near the electron detachment limit dictates the low-energy scattering of an electron with the parent neutral atom. We demonstrate that a single ultracold atom bound inside a Rydberg orbit forming an ultralong-range Rydberg molecule provides an atomic-scale system which is highly sensitive to electron-neutral scattering and thus allows for detailed insights into the underlying near-threshold anion states. Our measurements reveal the so far unobserved fine structure of the $^3P_J$ triplet of Rb$^-$ and allow us to extract parameters of the associated $p$-wave scattering resonances which deviate from previous theoretical estimates. Moreover, we observe a novel alignment mechanism for Rydberg molecules mediated by spin-orbit coupling in the negative ion.

physics.atom-ph↗

arXiv2019

The building principle of triatomic trilobite Rydberg molecules

We investigate triatomic molecules that consist of two ground state atoms and a highly excited Rydberg atom, bound at large internuclear distances of thousands of Ångstroms. In the molecular state the Rydberg electron is in a superposition of high angular momentum states whose probability densities resemble the form of trilobite fossils. The associated potential energy landscape has an oscillatory shape and supports a rich variety of stable geometries with different bond angles and bond lengths. Based on an electronic structure investigation we analyze the molecular geometry systematically and develop a simple building principle that predicts the triatomic equilibrium configurations. %based on the properties of diatomic trilobite molecules. As a representative example we focus on $^{87}$Rb trimers correlated to the $n=30$ Rydberg state. Using an exact diagonalization scheme we determine and characterize localized vibrational states in these potential minima with energy spacings on the order of 100 MHz$\times h$.

physics.atom-ph↗

arXiv2019

Alignment of s-state Rydberg molecules in magnetic fields

We unravel some peculiar properties of ultralong-range Rydberg molecules formed by an $s$-state $^{87}$Rb Rydberg atom and a corresponding ground-state atom whose electronic orbitals are spherically symmetric and therefore should not be influenced by the presence of weak magnetic fields. However, the electron-atom interaction, which establishes the molecular bond, is under certain conditions subject to a sizeable spin-orbit coupling and, hence, sensitive to the magnetic field. This mechanism can be harnessed to counterintuitively align the $s$-state molecules with respect to the field axis. We demonstrate this by analyzing the angular-dependent Born-Oppenheimer potential energy surfaces and the supported vibrational molecular states. Our predictions open novel possibilities to access the physics of relativistic electron-atom scattering experimentally.

physics.atom-ph↗

arXiv2018

Spin-Interaction Effects for Ultralong-range Rydberg Molecules in a Magnetic Field

We investigate the fine and spin structure of ultralong-range Rydberg molecules exposed to a homogeneous magnetic field. Each molecule consists of a $^{87}$Rb Rydberg atom whose outer electron interacts via spin-dependent $s$- and p-wave scattering with a polarizable $^{87}$Rb ground state atom. Our model includes also the hyperfine structure of the ground state atom as well as spin-orbit couplings of the Rydberg and ground state atom. We focus on $d$-Rydberg states and principal quantum numbers $n$ in the vicinity of 40. The electronic structure and vibrational states are determined in the framework of the Born-Oppenheimer approximation for varying field strengths ranging from a few up to hundred Gauß. The results show that the interplay between the scattering interactions and the spin couplings gives rise to a large variety of molecular states in different spin configurations as well as in different spatial arrangements that can be tuned by the magnetic field. This includes relatively regularly shaped energy surfaces in a regime where the Zeeman splitting is large compared to the scattering interaction but small compared to the Rydberg fine structure, as well as more complex structures for both, weaker and stronger fields. We quantify the impact of spin couplings by comparing the extended theory to a spin-independent model.

physics.atom-ph↗