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1. Characterizing the fundamental bending vibration of a linear polyatomic molecule for symmetry violation searches

   https://doi.org/10.1088/1367-2630/ace471  

   Jadbabaie, Arian; Takahashi, Yuiki; Pilgram, Nickolas H; Conn, Chandler J; Zeng, Yi; Zhang, Chi; Hutzler, Nicholas R (July 2023, New Journal of Physics)

   Abstract Polyatomic molecules have been identified as sensitive probes of charge-parity violating and parity violating physics beyond the Standard Model (BSM). For example, many linear triatomic molecules are both laser-coolable and have parity doublets in the ground electronic $\tilde{X}{}^2{\mathrm{\Sigma }}^{+}\left(010\right)$state arising from the bending vibration, both features that can greatly aid BSM searches. Understanding the $\tilde{X}{}^2{\mathrm{\Sigma }}^{+}\left(010\right)$state is a crucial prerequisite to precision measurements with linear polyatomic molecules. Here, we characterize the fundamental bending vibration of ${}^{174}$YbOH using high-resolution optical spectroscopy on the nominally forbidden $\tilde{X}{}^2{\mathrm{\Sigma }}^{+}\left(010\right)$ $\to \tilde{A}{}^2{\mathrm{\Pi }}_{1/2}\left(000\right)$transition at 588 nm. We assign 39 transitions originating from the lowest rotational levels of the $\tilde{X}{}^2{\mathrm{\Sigma }}^{+}\left(010\right)$state, and accurately model the state’s structure with an effective Hamiltonian using best-fit parameters. Additionally, we perform Stark and Zeeman spectroscopy on the $\tilde{X}{}^2{\mathrm{\Sigma }}^{+}\left(010\right)$state and fit the molecule-frame dipole moment to $D_{\mathrm{m}\mathrm{o}\mathrm{l}}=2.16\left(1\right)$Dand the effective electrong-factor to $g_S=2.07\left(2\right)$. Further, we use an empirical model to explain observed anomalous line intensities in terms of interference from spin–orbit and vibronic perturbations in the excited $\tilde{A}{}^2{\mathrm{\Pi }}_{1/2}\left(000\right)$state. Our work is an essential step toward searches for BSM physics in YbOH and other linear polyatomic molecules. 

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2. Deciphering the sensitivity of urban canopy air temperature to anthropogenic heat flux with a forcing-feedback framework

   https://doi.org/10.1088/1748-9326/ace7e0  

   Wang, Linying; Sun, Ting; Zhou, Wenyu; Liu, Maofeng; Li, Dan (August 2023, Environmental Research Letters)

   Abstract The sensitivity of urban canopy air temperature ( $T_a$) to anthropogenic heat flux ( $Q_{AH}$) is known to vary with space and time, but the key factors controlling such spatiotemporal variabilities remain elusive. To quantify the contributions of different physical processes to the magnitude and variability of $\mathrm{\Delta }{T}_a/\mathrm{\Delta }{Q}_{AH}$(where $\mathrm{\Delta }$represents a change), we develop a forcing-feedback framework based on the energy budget of air within the urban canopy layer and apply it to diagnosing $\mathrm{\Delta }{T}_a/\mathrm{\Delta }{Q}_{AH}$simulated by the Community Land Model Urban over the contiguous United States (CONUS). In summer, the median $\mathrm{\Delta }{T}_a/\mathrm{\Delta }{Q}_{AH}$is around 0.01 $\text{K\hspace{0.17em}}{\left(\text{W\hspace{0.17em}}{\text{m}}^{-\text{2}}\right)}^{-1}$over the CONUS. Besides the direct effect of $Q_{AH}$on $T_a$, there are important feedbacks through changes in the surface temperature, the atmosphere–canopy air heat conductance ( $c_a$), and the surface–canopy air heat conductance. The positive and negative feedbacks nearly cancel each other out and $\mathrm{\Delta }{T}_a/\mathrm{\Delta }{Q}_{AH}$is mostly controlled by the direct effect in summer. In winter, $\mathrm{\Delta }{T}_a/\mathrm{\Delta }{Q}_{AH}$becomes stronger, with the median value increased by about 20% due to weakened negative feedback associated with $c_a$. The spatial and temporal (both seasonal and diurnal) variability of $\mathrm{\Delta }{T}_a/\mathrm{\Delta }{Q}_{AH}$as well as the nonlinear response of $\mathrm{\Delta }{T}_a$to $\mathrm{\Delta }{Q}_{AH}$are strongly related to the variability of $c_a$, highlighting the importance of correctly parameterizing convective heat transfer in urban canopy models. 

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3. Deep multi-task mining Calabi–Yau four-folds

   https://doi.org/10.1088/2632-2153/ac37f7  

   Erbin, Harold; Finotello, Riccardo; Schneider, Robin; Tamaazousti, Mohamed (November 2021, Machine Learning: Science and Technology)

   Abstract We continue earlier efforts in computing the dimensions of tangent space cohomologies of Calabi–Yau manifolds using deep learning. In this paper, we consider the dataset of all Calabi–Yau four-folds constructed as complete intersections in products of projective spaces. Employing neural networks inspired by state-of-the-art computer vision architectures, we improve earlier benchmarks and demonstrate that all four non-trivial Hodge numbers can be learned at the same time using a multi-task architecture. With 30% (80%) training ratio, we reach an accuracy of 100% for $h^{(1,1)}$and 97% for $h^{(2,1)}$(100% for both), 81% (96%) for $h^{(3,1)}$, and 49% (83%) for $h^{(2,2)}$. Assuming that the Euler number is known, as it is easy to compute, and taking into account the linear constraint arising from index computations, we get 100% total accuracy. 

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4. Efficient pathway to NaCs ground state molecules

   https://doi.org/10.1088/1367-2630/acd411  

   Warner, Claire; Bigagli, Niccolò; Lam, Aden Z.; Yuan, Weijun; Zhang, Siwei; Stevenson, Ian; Will, Sebastian (June 2023, New Journal of Physics)

   Abstract We present a study of two-photon pathways for the transfer of NaCs molecules to their rovibrational ground state. Starting from NaCs Feshbach molecules, we perform bound-bound excited state spectroscopy in the wavelength range from 900 nm to 940 nm, covering more than 30 vibrational states of the $c^3{\mathrm{\Sigma }}^{+}$, $b^3\mathrm{\Pi }$, and $B^1\mathrm{\Pi }$electronic states. Analyzing the rotational substructure, we identify the highly mixed $c^3{\mathrm{\Sigma }}_1^{+}|v=22⟩\sim b^3{\mathrm{\Pi }}_1|v=54⟩$state as an efficient bridge for stimulated Raman adiabatic passage. We demonstrate transfer into the NaCs ground state with an efficiency of up to 88(4)%. Highly efficient transfer is critical for the realization of many-body quantum phases of strongly dipolar NaCs molecules and high fidelity detection of single molecules, for example, in spin physics experiments in optical lattices and quantum information experiments in optical tweezer arrays. 

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5. Computation of the expectation value of the spin operator ${\hat{S}}^2$ for the spin-flip Bethe–Salpeter equation

   https://doi.org/10.1088/2516-1075/ad48ed  

   Barker, B A; Seshappan, A; Strubbe, D A (May 2024, Electronic Structure)

   Abstract Spin-flip (SF) methods applied to excited-state approaches like the Bethe–Salpeter equation allow access to the excitation energies of open-shell systems, such as molecules and defects in solids. The eigenstates of these solutions, however, are generally not eigenstates of the spin operator ${\hat{S}}^2$. Even for simple cases where the excitation vector is expected to be, for example, a triplet state, the value of $⟨{\hat{S}}^2⟩$may be found to differ from 2.00; this difference is called ‘spin contamination’. The expectation values $⟨{\hat{S}}^2⟩$must be computed for each excitation vector, to assist with the characterization of the particular excitation and to determine the amount of spin contamination of the state. Our aim is to provide for the first time in the SF methods literature a comprehensive resource on the derivation of the formulas for $⟨{\hat{S}}^2⟩$as well as its computational implementation. After a brief discussion of the theory of the SF Bethe–Salpeter equation (BSE) and some examples further illustrating the need for calculating $⟨{\hat{S}}^2⟩$, we present the derivation for the general equation for computing $⟨{\hat{S}}^2⟩$with the eigenvectors from an SF-BSE calculation, how it is implemented in a Python script, and timing information on how this calculation scales with the size of the SF-BSE Hamiltonian. 

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