Visible and Ultraviolet Laser Spectroscopy of ThF

The molecular ion ThF$^+$ is the species to be used in the next generation of search for the electron's Electric Dipole Moment (eEDM) at JILA. The measurement requires creating molecular ions in the eEDM sensitive state, the rovibronic ground state $^3\Delta_1$, $v^+=0$, $J^+=1$. Survey spectroscopy of neutral ThF is required to identify an appropriate intermediate state for a Resonance Enhanced Multi-Photon Ionization (REMPI) scheme that will create ions in the required state. We perform broadband survey spectroscopy (from 13000 to 44000~cm$^{-1}$) of ThF using both Laser Induced Fluorescence (LIF) and $1+1'$ REMPI spectroscopy. We observe and assign 345 previously unreported vibronic bands of ThF. We demonstrate 30\% efficiency in the production of ThF$^+$ ions in the eEDM sensitive state using the $\Omega = 3/2$ [32.85] intermediate state. In addition, we propose a method to increase the aforementioned efficiency to $\sim$100\% by using vibrational autoionization via core-nonpenetrating Rydberg states, and discuss theoretical and experimental challenges. Finally, we also report 83 vibronic bands of an impurity species, ThO.Comment: 49 pages, 7 figure

Rural migration in sub-Saharan Africa: Patterns, drivers and relation to structural transformation

Sub-Saharan Africa has a long history of internal and international migratory movements. Migration patterns and dynamics from, to and between rural areas are profoundly differentiated across regions, and flows have considerably evolved over time. Yet, more recently, rural migration takes place in the unique situation of a major rural and urban demographic increase, which results in critical socio-economic and environmental challenges. In this context, intertwined migration drivers emerge and call for a better understanding of on-going dynamics. This working paper draws on a combination of literature review and data analysis, building on the results of the Atlas "Rural Africa in motion. Dynamics and drivers of migration South of the Sahara". This mixed approach is used to propose a conceptual framework based on past, current and future drivers of migration, then to examine observed patterns of rural migration and finally to discuss drivers' characteristics and dynamics from case studies and existing datasets

Broadband velocity modulation spectroscopy of HfF^+: towards a measurement of the electron electric dipole moment

Precision spectroscopy of trapped HfF^+ will be used in a search for the permanent electric dipole moment of the electron (eEDM). While this dipole moment has yet to be observed, various extensions to the standard model of particle physics (such as supersymmetry) predict values that are close to the current limit. We present extensive survey spectroscopy of 19 bands covering nearly 5000 cm^(-1) using both frequency-comb and single-frequency laser velocity-modulation spectroscopy. We obtain high-precision rovibrational constants for eight electronic states including those that will be necessary for state preparation and readout in an actual eEDM experiment.Comment: 13 pages, 7 figures, 3 table

Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene

Recent experiments have confirmed the importance of nuclear quantum effects even in large biomolecules at physiological temperature. Here we describe how the path integral formalism can be used to describe rigorously the nuclear quantum effects on equilibrium and kinetic properties of molecules. Specifically, we explain how path integrals can be employed to evaluate the equilibrium (EIE) and kinetic (KIE) isotope effects, and the temperature dependence of the rate constant. The methodology is applied to the [1,5] sigmatropic hydrogen shift in pentadiene. Both the KIE and the temperature dependence of the rate constant confirm the importance of tunneling and other nuclear quantum effects as well as of the anharmonicity of the potential energy surface. Moreover, previous results on the KIE were improved by using a combination of a high level electronic structure calculation within the harmonic approximation with a path integral anharmonicity correction using a lower level method.Comment: 9 pages, 4 figure

Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.

Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across different phases. In this article, we review the recent progress in the development of analytical potential energy functions that aim at correctly representing many-body effects. Starting from the many-body expansion of the interaction energy, specific focus is on different classes of potential energy functions built upon a hierarchy of approximations and on their ability to accurately reproduce reference data obtained from state-of-the-art electronic structure calculations and experimental measurements. We show that most recent potential energy functions, which include explicit short-range representations of two-body and three-body effects along with a physically correct description of many-body effects at all distances, predict the properties of water from the gas to the condensed phase with unprecedented accuracy, thus opening the door to the long-sought "universal model" capable of describing the behavior of water under different conditions and in different environments

Implementing Fault-tolerant Entangling Gates on the Five-qubit Code and the Color Code

We compare two different implementations of fault-tolerant entangling gates on logical qubits. In one instance, a twelve-qubit trapped-ion quantum computer is used to implement a non-transversal logical CNOT gate between two five qubit codes. The operation is evaluated with varying degrees of fault tolerance, which are provided by including quantum error correction circuit primitives known as flagging and pieceable fault tolerance. In the second instance, a twenty-qubit trapped-ion quantum computer is used to implement a transversal logical CNOT gate on two [[7,1,3]] color codes. The two codes were implemented on different but similar devices, and in both instances, all of the quantum error correction primitives, including the determination of corrections via decoding, are implemented during runtime using a classical compute environment that is tightly integrated with the quantum processor. For different combinations of the primitives, logical state fidelity measurements are made after applying the gate to different input states, providing bounds on the process fidelity. We find the highest fidelity operations with the color code, with the fault-tolerant SPAM operation achieving fidelities of 0.99939(15) and 0.99959(13) when preparing eigenstates of the logical X and Z operators, which is higher than the average physical qubit SPAM fidelities of 0.9968(2) and 0.9970(1) for the physical X and Z bases, respectively. When combined with a logical transversal CNOT gate, we find the color code to perform the sequence--state preparation, CNOT, measure out--with an average fidelity bounded by [0.9957,0.9963]. The logical fidelity bounds are higher than the analogous physical-level fidelity bounds, which we find to be [0.9850,0.9903], reflecting multiple physical noise sources such as SPAM errors for two qubits, several single-qubit gates, a two-qubit gate and some amount of memory error