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Transmission electron microscopy (TEM) is a potent technique for the determination of three-dimensional atomic scale structure of samples in structural biology and materials science. In structural biology, three-dimensional structures of…

Discovering the 3D atomic structure of molecules such as proteins and viruses is a fundamental research problem in biology and medicine. Electron Cryomicroscopy (Cryo-EM) is a promising vision-based technique for structure estimation which…

Computer Vision and Pattern Recognition · Computer Science 2016-11-18 Marcus A. Brubaker , Ali Punjani , David J. Fleet

Precise calculations of core properties in heavy-atom systems which are described by the operators heavily concentrated in atomic cores, like to hyperfine structure and P,T-parity nonconservation effects, usually require accounting for…

Atomic Physics · Physics 2015-06-26 A. V. Titov , N. S. Mosyagin , A. N. Petrov , T. A. Isaev

The electric dipole moment of the electron (eEDM) is a signature of CP-violating physics beyond the Standard Model. We describe an ongoing experiment to measure or set improved limits to the eEDM, using a cold beam of thorium monoxide (ThO)…

We characterize the Europium (Eu$^{3+}$) hyperfine interaction of the excited state ($^5$D$_0$) and determine its effective spin Hamiltonian parameters for the Zeeman and quadrupole tensors. An optical free induction decay method is used to…

We perform laser induced fluorescence(LIF) spectroscopy on a pulsed supersonic beam of tungsten carbide(WC) molecules, which has been proposed as a candidate molecular system for a permanent Electric Dipole Moment(EDM) search of the…

Atomic Physics · Physics 2015-06-12 J. Lee , J. Chen , L. V. Skripnikov , A. N. Petrov , A. V. Titov , N. S. Mosyagin , A. E. Leanhardt

The discovery of the atomic electric dipole moment (EDM) would reveal the simultaneous violation of parity (P) and time-reversal (T) invariance. The EDM can be induced by T-odd forces between the nucleus and atomic electrons. As the nuclear…

Nuclear Theory · Physics 2008-11-26 Naftali Auerbach , Vladimir Zelevinsky

We investigate the energy levels of heteronuclear alkali metal dimers in levels correlating with the lowest rotational level of the ground electronic state, which are important in efforts to produce ground-state ultracold molecules. We use…

Atomic Physics · Physics 2009-11-13 J. Aldegunde , Ben A. Rivington , Piotr S. Żuchowski , Jeremy M. Hutson

A finite element method (FEM) for solving the complex valued k({\omega}) vs. {\omega} dispersion curve of a 3D metamaterial/photonic crystal system is presented. This 3D method is a generalization of a previously reported 2D eigenvalue…

Materials Science · Physics 2015-05-28 Chris Fietz , Yaroslav Urzhumov , Gennady Shvets

Polyatomic polar molecules are promising systems for future experiments that search for violation of time-reversal and parity symmetries due to their advantageous electronic and vibrational structure, which allows laser cooling, full…

Kohn-Sham (KS) density functional theory (DFT) is a very efficient method for calculating various properties of solids as, for instance, the total energy, the electron density, or the electronic band structure. The KS-DFT method leads to…

Materials Science · Physics 2019-09-20 Fabien Tran , Jan Doumont , Leila Kalantari , Ahmad W. Huran , Miguel A. L. Marques , Peter Blaha

Understanding the dynamics of electric-double-layer (EDL) charging in porous media is essential for advancements in next-generation energy storage devices. Due to the high computational demands of direct numerical simulations and a lack of…

Chemical Physics · Physics 2023-09-04 Filipe Henrique , Pawel J. Zuk , Ankur Gupta

Calculations of the magnetic hyperfine structure rely on the input of nuclear properties -- nuclear magnetic moments and nuclear magnetization distributions -- as well as quantum electrodynamic (QED) radiative corrections for high-accuracy…

Atomic Physics · Physics 2018-09-19 J. S. M. Ginges , A. V. Volotka

The prevalence of matter over antimatter in the observable universe remains one of the most profound puzzles in modern physics, necessitating sources of charge-parity (CP) symmetry violation beyond those incorporated in the Standard Model.…

High Energy Physics - Experiment · Physics 2026-04-20 Jianyu Zhang

Super-Resolution Microscopy (SRM) is emerging as a powerful and innovative tool for imaging, characterizing, and understanding the structure of Extracellular Vesicles (EVs). By addressing the need for single-particle analysis with the high…

We report on the creation of ultracold heteronuclear molecules assembled from fermionic 40K and bosonic 87Rb atoms in a 3D optical lattice. Molecules are produced at a heteronuclear Feshbach resonance both on the attractive and the…

Statistical Mechanics · Physics 2007-05-23 C. Ospelkaus , S. Ospelkaus , L. Humbert , P. Ernst , K. Sengstock , K. Bongs

We study the parity-violating electron-electron interaction mediated by the axion-like in the hexatomic molecule of a symmetric top type. The rich rovibrational behavior require electronic computations for multiple molecular configurations…

Atomic Physics · Physics 2026-05-05 Anna Zakharova , Mikhail Reiter

Using the ground potential energy surface[M. Ayouz \textit{et\, al}. J. Chem Phys \textbf{132} 194309 (2010)] of the H$_3^-$ molecule, we have determined the energies and widths of the complex resonant levels of H$_3^-$ located up to 4000…

Atomic Physics · Physics 2015-06-15 M. Ayouz , Olivier Dulieu , J. Robert

We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra,…

Chemical Physics · Physics 2016-08-24 Matthias Germann , Stefan Willitsch

Nuclear magnetic resonance (NMR) and transport measurements have been performed at high magnetic fields and low temperatures in a series of $n$-type Bi$_{2}$Se$_{3}$ crystals. In low density samples, a complete spin polarization of the…

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