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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. 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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3. The EDGE-CALIFA Survey: Spatially Resolved ¹³ CO(1–0) Observations and Variations in ¹² CO(1–0)/ ¹³ CO(1–0) in Nearby Galaxies on Kiloparsec Scales

   https://doi.org/10.3847/1538-4365/acd840  

   Cao, Yixian; Wong, Tony; Bolatto, Alberto D.; Leroy, Adam K.; Rosolowsky, Erik; Utomo, Dyas; Sánchez, Sebastián F.; Barrera-Ballesteros, Jorge K.; Levy, Rebecca C.; Colombo, Dario; et al (August 2023, The Astrophysical Journal Supplement Series)

   Abstract We present¹³CO(J= 1 → 0) observations for the EDGE-CALIFA survey, which is a mapping survey of 126 nearby galaxies at a typical spatial resolution of 1.5 kpc. Using detected¹²CO emission as a prior, we detect¹³CO in 41 galaxies via integrated line flux over the entire galaxy and in 30 galaxies via integrated line intensity in resolved synthesized beams. Incorporating our CO observations and optical IFU spectroscopy, we perform a systematic comparison between the line ratio ${\mathit{}}_{12/13}\equiv I{[}^{12}\mathrm{CO}(J=1\to 0)\left]/I{[}^{13}\mathrm{CO}\right(J=1\to 0\left)\right]$and the properties of the stars and ionized gas. Higher ${\mathit{}}_{12/13}$values are found in interacting galaxies compared to those in noninteracting galaxies. The global ${\mathit{}}_{12/13}$slightly increases with infrared colorF₆₀/F₁₀₀but appears insensitive to other host-galaxy properties such as morphology, stellar mass, or galaxy size. We also present azimuthally averaged ${\mathit{}}_{12/13}$profiles for our sample up to a galactocentric radius of 0.4r₂₅(∼6 kpc), taking into account the¹³CO nondetections by spectral stacking. The radial profiles of ${\mathit{}}_{12/13}$are quite flat across our sample. Within galactocentric distances of 0.2r₂₅, the azimuthally averaged ${\mathit{}}_{12/13}$increases with the star formation rate. However, Spearman rank correlation tests show the azimuthally averaged ${\mathit{}}_{12/13}$does not strongly correlate with any other gas or stellar properties in general, especially beyond 0.2r₂₅from the galaxy centers. Our findings suggest that in the complex environments in galaxy disks, ${\mathit{}}_{12/13}$is not a sensitive tracer for ISM properties. Dynamical disturbances, like galaxy interactions or the presence of a bar, also have an overall impact on ${\mathit{}}_{12/13}$, which further complicates the interpretations of ${\mathit{}}_{12/13}$variations. 

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4. The metastable Q ³ Δ ₂ state of ThO: a new resource for the ACME electron EDM search

   https://doi.org/10.1088/1367-2630/ab6a3a  

   Wu, X.; Han, Z.; Chow, J.; Ang, D. G.; Meisenhelder, C.; Panda, C. D.; West, E. P.; Gabrielse, G.; Doyle, J. M.; DeMille, D. (February 2020, New Journal of Physics)

   Abstract The best upper limit for the electron electric dipole moment was recently set by the ACME collaboration. This experiment measures an electron spin-precession in a cold beam of ThO molecules in their metastable $H{(}^3{\mathrm{\Delta }}_1)$state. Improvement in the statistical and systematic uncertainties is possible with more efficient use of molecules from the source and better magnetometry in the experiment, respectively. Here, we report measurements of several relevant properties of the long-lived $Q{(}^3{\mathrm{\Delta }}_2)$state of ThO, and show that this state is a very useful resource for both these purposes. TheQstate lifetime is long enough that its decay during the time of flight in the ACME beam experiment is negligible. The large electric dipole moment measured for theQstate, giving rise to a large linear Stark shift, is ideal for an electrostatic lens that increases the fraction of molecules detected downstream. The measured magnetic moment of theQstate is also large enough to be used as a sensitive co-magnetometer in ACME. Finally, we show that theQstate has a large transition dipole moment to the $C{(}^1{\mathrm{\Pi }}_1)$state, which allows for efficient population transfer between the ground state $X{(}^1{\mathrm{\Sigma }}^{+})$and theQstate via $X-C-Q$Stimulated Raman Adiabatic Passage (STIRAP). We demonstrate 90 % STIRAP transfer efficiency. In the course of these measurements, we also determine the magnetic moment ofCstate, the $X\to C$transition dipole moment, and branching ratios of decays from theCstate. 

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5. Bounds on eigenfunctions of quantum cat maps

   https://doi.org/10.1088/1402-4896/ad0331  

   Kim, Elena; Koirala, Robert (October 2023, Physica Scripta)

   Abstract We studyℓ^∞norms ofℓ²-normalized eigenfunctions of quantum cat maps. For maps with short quantum periods (constructed by Bonechi and de Biévre in F Bonechi and S De Bièvre (2000,Communications in Mathematical Physics,211, 659–686)) we show that there exists a sequence of eigenfunctionsuwith $\parallel u{\parallel }_{\infty }\gtrsim {\left(\log N\right)}^{-1/2}$. For general eigenfunctions we show the upper bound $\parallel u{\parallel }_{\infty }\lesssim {\left(\log N\right)}^{-1/2}$. Here the semiclassical parameter is $h={\left(2\pi N\right)}^{-1}$. Our upper bound is analogous to the one proved by Bérard in P Bérard (1977,Mathematische Zeitschrift,155, 249-276) for compact Riemannian manifolds without conjugate points. 

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