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Saturday, March 20, 2021

Atomic and Molecular Physics Topic Alert

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Topic Alert

March 2021

Atomic and Molecular Physics

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Machine-learning free-energy functionals using density profiles from simulations     

Peter Cats, Sander Kuipers, Sacha de Wind, Robin van Damme, Gabriele M. Coli, Marjolein Dijkstra, and René van Roij

APL Materials 9, 031109 (2021)

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Spectral properties of the singular Friedrichs–Lee Hamiltonian 

Paolo Facchi, Marilena Ligabò, and Davide Lonigro

Journal of Mathematical Physics 62, 032102 (2021)

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Plasma parameter profile inference from limited data utilizing second-order derivative priors and physic-based constraints     

T. Nishizawa, M. Cavedon, R. Dux, F. Reimold, and U. von Toussaint

Physics of Plasmas 28, 032504 (2021)

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An optically heated atomic source for compact ion trap vacuum systems 

S. Gao, W. J. Hughes, D. M. Lucas, T. G. Ballance, and J. F. Goodwin

Review of Scientific Instruments 92, 033205 (2021)

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Improved motional Stark effect signal processing using fast Fourier transform spectral analysis 

M. A. Makowski, and B. S. Victor

Review of Scientific Instruments 92, 033537 (2021)

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The molecular explanation for polyacrylamide viscosity reduction in high-salinity formation-water   

Shu Yang, Tao Ma, Yingfu He, and Xin Su

AIP Advances 11, 035032 (2021)

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A novel extraction method for useful component of vibration signal combining variational mode decomposition and relative entropy   

Yong Zhu, Quanlin Wang, Yangding Wang, Shouqi Yuan, Shengnan Tang, and Zhijian Zheng

AIP Advances 11, 035129 (2021)

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Photoswitchable high-dimensional CoII–[WV(CN)8] networks: Past, present, and future   

Olaf Stefańczyk, and Shin-ichi Ohkoshi

Journal of Applied Physics 129, 110901 (2021)

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The fragment molecular orbital method combined with density-functional tight-binding and periodic boundary conditions 

Yoshio Nishimoto, and Dmitri G. Fedorov

J. Chem. Phys. 154, 111102 (2021)

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Inversion of angular-dependent planar magnetoresistance in epitaxial Pt/γ′-Fe4N bilayers 

Xiaohui Shi, Chao Jin, and Wenbo Mi

Appl. Phys. Lett. 118, 111601 (2021)

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Fluctuating magnetism of Co- and Cu-doped NaFeAs 

Jonathan Pelliciari, Kenji Ishii, Lingyi Xing, Xiancheng Wang, Changqing Jin, and Thorsten Schmitt

Appl. Phys. Lett. 118, 112604 (2021)

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Magnetic modulation of mid and far-infrared plasmon resonances using the orientational magneto optical effect 

Gaspar Armelles, and Alfonso Cebollada

Appl. Phys. Lett. 118, 114102 (2021)

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The efficient calculation of electron impact ionization cross sections with effective core potentials 

Vincent Graves, Bridgette Cooper, and Jonathan Tennyson

J. Chem. Phys. 154, 114104 (2021)

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Efficient implementation of atom-density representations 

Félix Musil, Max Veit, Alexander Goscinski, Guillaume Fraux, Michael J. Willatt, Markus Stricker, Till Junge, and Michele Ceriotti

J. Chem. Phys. 154, 114109 (2021)

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Simulation of photo-electron spectrum and electron scattering by dual time propagation 

Luke Bhan, Cody Covington, Jason Rivas, and Kálmán Varga

J. Chem. Phys. 154, 114110 (2021)

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Two-dimensional spectroscopy beyond the perturbative limit: The influence of finite pulses and detection modes   

André Anda, and Jared H. Cole

J. Chem. Phys. 154, 114113 (2021)

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Representations of energy landscapes by sublevelset persistent homology: An example with n-alkanes   

Joshua Mirth, Yanqin Zhai, Johnathan Bush, Enrique G. Alvarado, Howie Jordan, Mark Heim, Bala Krishnamoorthy, Markus Pflaum, Aurora Clark, Y Z, and Henry Adams

J. Chem. Phys. 154, 114114 (2021)

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Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks 

Sahil Gulania, Eirik F. Kjønstad, John F. Stanton, Henrik Koch, and Anna I. Krylov

J. Chem. Phys. 154, 114115 (2021)

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Fragmentation of isocyanic acid, HNCO, following core excitation and ionization 

Marius Gerlach, Felipe Fantuzzi, Lilith Wohlfart, Karina Kopp, Bernd Engels, John Bozek, Christophe Nicolas, Dennis Mayer, Markus Gühr, Fabian Holzmeier, and Ingo Fischer

J. Chem. Phys. 154, 114302 (2021)

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Quantum dynamics of the energy transfer for vibrationally excited HF (v = 7) colliding with D2 (v = 0): Theory assessing experiment 

Boyi Zhou, Dongzheng Yang, and Daiqian Xie

J. Chem. Phys. 154, 114303 (2021)

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Frequency comb referenced spectroscopy of AX 0–0 transitions in SH   

Arthur Fast, and Samuel A. Meek

J. Chem. Phys. 154, 114304 (2021)

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Adiabatic theory of SET and RESET transitions 

V. G. Karpov

Journal of Applied Physics 129, 114501 (2021)

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Hydration structure of flat and stepped MgO surfaces 

Zhutian Ding, and Annabella Selloni

J. Chem. Phys. 154, 114708 (2021)

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Dynamic band-shift signal in two-dimensional electronic spectroscopy: A case of bacterial reaction center   

Eglė Bukartė, David Paleček, Petra Edlund, Sebastian Westenhoff, and Donatas Zigmantas

J. Chem. Phys. 154, 115102 (2021)

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Thermoacoustic wave generation in multilayered thermophones with cylindrical and spherical geometries 

Pierre Guiraud, Stefano Giordano, Olivier Bou Matar, Philippe Pernod, and Raphael Lardat

Journal of Applied Physics 129, 115103 (2021)

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Two contributions to the dielectric response of polar liquids 

Alexey A. Gavrilov, and Elena Yu. Kramarenko

J. Chem. Phys. 154, 116101 (2021)

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