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Journal of Open Research Software

Software for Calculating Trap Induced Broadening in Potential Hydrogen Lattice Clocks

Joseph P. Scott, David Carty, M. P. A. Jones

Published Jan 1, 2026• 0 citations
Publisher

Abstract

We present software for calculating the polarisability and atom-photon scattering rates of hydrogen atoms in S-states (orbital angular momentum l = 0). It can also calculate magic wavelengths between pairs of hydrogen S states. Such calculations are essential to the potential optical trapping of atomic hydrogen. Calculations proceed numerically via implicit summation over a basis of radial Sturmian functions. This naturally includes all contributions from both bound and unbound states. The software was developed with low-lying states in mind but applies to all S states and any hydrogen isotope. Extensions to other hydrogen-like systems or different orbital angular momentum states are possible. It is written in Python and uses NumPy and SciPy extensively. It is available via GitHub.

DOI
10.5334/jors.504

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We present software for calculating the polarisability and atom-photon scattering rates of hydrogen atoms in S-states (orbital angular momentum l = 0). It can also calculate magic wavelengths between pairs of hydrogen S states. Such calculations are essential to the potential optical trapping of atomic hydrogen. Calculations proceed numerically via implicit summation over a basis of radial Sturmian functions. This naturally includes all contributions from both bound and unbound states. The software was developed with low-lying states in mind but applies to all S states and any hydrogen isotope. Extensions to other hydrogen-like systems or different orbital angular momentum states are possible. It is written in Python and uses NumPy and SciPy extensively. It is available via GitHub.
Abstract We consider the potential use of optical traps for precision measurements in atomic hydrogen (H). Using an implicit summation method, we calculate the atomic polarisability, the rates of elastic/inelastic scattering and the ionisation rate in the wavelength range (395–1000) nm. We extend previous work to predict three new magic wavelengths for the 1S–2S transition. At the magic wavelengths, the 1S–2S transition is unavoidably and significantly broadened due to trap-induced ionisation associated with the high intensity required to trap the 1S state. However, we also find that this effect is partially mitigated by the low mass of H, which increases the trap frequency, enabling Lamb–Dicke confinement in shallow lattices. We find that a H optical lattice clock, free from the motional systematics which dominate in beam experiments, could operate with an intrinsic linewidth of the order of 1 kHz. Trap-induced losses are shown not to limit measurements of other transitions.
Because of its simple structure, the hydrogen atom is often used as a testbed for quantum electrodynamics. Spectroscopy of trapped atomic samples can greatly improve the accuracy of these tests. Trapping atomic hydrogen in an optical dipole trap or an optical lattice has never been achieved. Only trapping in magnetic fields that lead to large Zeeman shifts has been demonstrated. Standard techniques of atomic physics are difficult to apply to atomic hydrogen. The small mass of the atom and the large photon energy of the 1-2 cooling transition significantly complicate Doppler cooling. This proposal introduces a photon recoil-assisted loading scheme that uses these properties to our advantage to load atomic hydrogen into an optical dipole trap without laser cooling. The magic wavelength (515 nm) for the 1-2 clock transition (1.3-Hz natural linewidth) is easily accessible with current laser technology. Since the 1-2 clock transition can be driven Doppler free, we do not require a very low temperature. Besides improving spectroscopy for fundamental science, such a system can also be used as a “computable” atomic clock that may one day justify the redefinition of the SI second in terms of the Rydberg constant.
Because of its simple structure, the hydrogen atom is often used as a testbed for quantum electrodynamics. Spectroscopy of trapped atomic samples can greatly improve the accuracy of these tests. Trapping atomic hydrogen in an optical dipole trap or an optical lattice has never been achieved. Only trapping in magnetic fields that lead to large Zeeman shifts has been demonstrated. Standard techniques of atomic physics are difficult to apply to atomic hydrogen. The small mass of the atom and the large photon energy of the 1S-2P cooling transition significantly complicate Doppler cooling. This proposal introduces a photon recoil-assisted loading scheme that uses these properties to our advantage to load atomic hydrogen into an optical dipole trap without laser cooling. The magic wavelength (515 nm) for the 1S-2S clock transition (1.3-Hz natural linewidth) is easily accessible with current laser technology. Since the 1S-2S clock transition can be driven Doppler free, we do not require a very low temperature. Besides improving spectroscopy for fundamental science, such a system can also be used as a “computable” atomic clock that may one day justify the redefinition of the SI second in terms of the Rydberg constant.
The dynamic dipole polarizabilities for 1S, 2S and 3S states of the hydrogen atom are calculated using the finite B-spline basis set method, and the magic wavelengths for 1S—2S and 1S—3S transitions are identified. In comparison of the solutions from the Schrödinger and Dirac equations, the relativistic corrections on the magic wavelengths are of the order of 10 −2 nm. The laser intensities for a 300-E r -deep optical trap and the heating rates at 514 and 1371 nm are estimated. The reliable prediction of the magic wavelengths would be helpful for the experimental design on the optical trapping of the hydrogen atoms, and in turn, it would be helpful to improve the accuracy of the measurements of the hydrogen 1S—2S and 1S—3S transitions.
The general theory of multiphoton ionization of hydrogen atoms by simultaneous absorption of several photons is discussed. In the nonrelativistic dipole approximation, the calculations lead to a recursion relationship concerning angular functions and involve radial matrix elements containing many summations over intermediate states. A general method for exactly evaluating several sums is described in detail and applied to the photo-ionization of atomic hydrogen in the ground state. Numerical results are presented as dispersion curves of the transition rate $\frac{{\ensuremath{\sigma}}_{n}}{{I}^{N\ensuremath{-}1}}$ for a range of wavelengths from 1000 up to 7200 \AA{}.
I examine the trapping of Rydberg atoms in an optical standing wave. This trap, called an optical lattice, offers a platform for utilizing Rydberg atoms and their unique properties in applications such as atomic spectroscopy and quantum computing. Toward this end, I demonstrate the capability to trap rubidium 85 Rydberg atoms in a one-dimensional 1064 nm wavelength optical lattice with high efficiency. I have achieved a 90% trapping efficiency by inverting the lattice immediately after Rydberg-atom excitation, using an electro-optic technique. In addition, I investigate the dependence of optical-lattice trapping potentials for Rydberg atoms on the angular portion of the atomic wavefunction. While ground-state atoms are point-like in relation to an optical-lattice field, Rydberg-atom wavefunctions extend over a substantial fraction of the lattice period, leading to an angular dependence of the lattice trapping potentials. I measure the potentials using various angular sublevels of Rydberg nD states prepared in the optical lattice with a superimposed transverse DC electric field. This unique angular dependence of Rydberg-atom optical lattices may be exploited to tailor the trapping potentials as needed for spectroscopy or quantum computing. Further, atom loss due to lattice-induced photoionization of Rydberg atoms must be characterized for applications. I investigate the photoionization process as a function of position within the volume of a Rydberg atom. Since Rydberg-atom sizes approximately equal the lattice period, the lattice intensity varies maximally within the atomic volume. I find that photoionization rates are higher for lattice intensity maxima located near the nucleus than within the lobes of the electronic probability distribution. Photoionization therefore occurs near the Rydberg-atom nucleus. Finally, I calculate photoionization rates for Rydberg atoms in optical fields and investigate how these rates relate to the validity of the electric dipole approximation. This approximation is usually central to matter-field interactions, and Rydberg atoms in optical fields present a system for studying the approximation in a limiting case. I further apply the photoionization calculations to experimentally-relevant conditions. With these advances, this thesis lays essential groundwork for the employment of Rydberg-atom optical lattices in applications.