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Atomic and Molecular Physics Topic Alert

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Topic Alert

September 2023

Atomic and Molecular Physics

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Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid 

M. Engsvang,H. Wu,Y. Knattrup,J. Kubečka,A. Buchgraitz Jensen,J. Elm

Chem. Phys. Rev. 4, 031311 (2023)

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Strong coupling dynamics of driven quantum systems with permanent dipoles   

Adam Burgess,Marian Florescu,Dominic M. Rouse

AVS Quantum Sci. 5, 031402 (2023)

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A gauge field theory of coherent matter waves   

Dana Z. Anderson,Katarzyna Krzyzanowska

AVS Quantum Sci. 5, 034403 (2023)

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Thermochemical and spectral properties of adenosine (Mono, Di, Tri phosphate) by DFT 

Hussein Neama Najeeb,Khalid Mahdi Jasim,Riyadh T. Hussein,Hassan A. Majeed

AIP Conf. Proc. 2839, 050013 (2023)

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Preparation and characterization of some pyrimidine derivatives and study with CT DNA 

Payman AL-Dawoody,Hala AL-Zahawi,Nurhan Chelebi

AIP Conf. Proc. 2839, 060008 (2023)

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Collisional-radiative modeling and radiative emission of tungsten in tokamak plasmas in the temperature range (800–5000) eV 

M. Y. Boumendjel,C. Desgranges,R. Guirlet,West Team,O. Peyrusse

Phys. Plasmas 30, 093302 (2023)

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Generation of the high power by a coaxial dielectric barrier discharge with a perforated electrode in atmospheric pressure air 

Feng Liu,Yun Wang,Weiwei Wang,Guihu Shi,Zhihui Fan,Jingquan Wang,Haiyan Han

Phys. Plasmas 30, 093508 (2023)

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How to train a neural network potential 

Alea Miako Tokita,Jörg Behler

J. Chem. Phys. 159, 121501 (2023)

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Development of high-reflectivity polymer/air-Bragg micromirror structures for nanophotonic applications   

Chirag Chandrakant Palekar,Manan Shah,Stephan Reitzenstein,Arash Rahimi-Iman

J. Appl. Phys. 134, 123107 (2023)

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14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study 

F. F. Murzakhanov,M. A. Sadovnikova,G. V. Mamin,S. S. Nagalyuk,H. J. von Bardeleben,W. G. Schmidt,T. Biktagirov,U. Gerstmann,V. A. Soltamov

J. Appl. Phys. 134, 123906 (2023)

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Fragment-based models for dissociation of strong acids in water: Electrostatic embedding minimizes the dependence on the fragmentation schemes 

Vikrant Tripathy,Krishnan Raghavachari

J. Chem. Phys. 159, 124106 (2023)

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Investigating the accuracy of density functional methods for molecules in electric fields 

Tarek Scheele,Tim Neudecker

J. Chem. Phys. 159, 124111 (2023)

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Electron density-based protocol to recover the interacting quantum atoms components of intermolecular binding energy 

Aleksei A. Anisimov,Ivan V. Ananyev

J. Chem. Phys. 159, 124113 (2023)

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Meta-generalized gradient approximations in time dependent generalized Kohn–Sham theory: Importance of the current density correction 

Rian Richter,Thilo Aschebrock,Ingo Schelter,Stephan Kümmel

J. Chem. Phys. 159, 124117 (2023)

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Nuclear induction lineshape modeling via hybrid SDE and MD approach 

Mohamad Niknam,Louis-S. Bouchard

J. Chem. Phys. 159, 124201 (2023)

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Excited-state van der Waals potential energy surfaces for the NO A2Σ+ + CO2 collision complex   

Luca Craciunescu,Eirik M. Liane,Adam Kirrander,Martin J. Paterson

J. Chem. Phys. 159, 124303 (2023)

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Rotational energy transfer in the collision of N2O with He atom 

Hanwei Yang,Xinyang Liu,Yuqian Liu,Mohan Xu,Zheng Li

J. Chem. Phys. 159, 124306 (2023)

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The CN(X 2Σ+) + C2H6 reaction: Dynamics study based on an analytical full-dimensional potential energy surface 

Joaquin Espinosa-Garcia,Cipriano Rangel

J. Chem. Phys. 159, 124307 (2023)

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First-principles molten salt phase diagrams through thermodynamic integration 

Tanooj Shah,Kamron Fazel,Jie Lian,Liping Huang,Yunfeng Shi,Ravishankar Sundararaman

J. Chem. Phys. 159, 124502 (2023)

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Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows   

Elena Gelžinytė,Simon Wengert,Tamás K. Stenczel,Hendrik H. Heenen,Karsten Reuter,Gábor Csányi,Noam Bernstein

J. Chem. Phys. 159, 124801 (2023)

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Theoretical investigations of positron collisions with phosphorus-containing compounds 

Sapna Mahla,Bobby Antony

J. Appl. Phys. 134, 124901 (2023)

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Atomic insights into the effect of rapid heating pretreatment on the mechanical stability of symmetrical tilt GBs in nanocrystalline materials 

Yaodong Wang,Chunpeng Li,Jiejie Li,Jianjun Li

J. Appl. Phys. 134, 125104 (2023)

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An atomic filter laser with a compact Voigt anomalous dispersion optical filter   

Zijie Liu,Xiaolei Guan,Xiaomin Qin,Zhiyang Wang,Hangbo Shi,Jia Zhang,Jianxiang Miao,Tiantian Shi,Anhong Dang,Jingbiao Chen

Appl. Phys. Lett. 123, 131103 (2023)

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Robust measurement of angular velocity based on rotational Doppler effect in misaligned illumination 

Jia-Qi Lü,Tian-Yu Cheng,Ji-Xiang Guo,Jin-Song Li,Yulei Wang,Zhiwei Lu

Appl. Phys. Lett. 123, 131107 (2023)

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Electrical gating of superconducting NbSe2 using SrTiO3-based field-effect transistors 

Zhi Fang,Zui Tao,Haoying Sun,Yang-Yang Lv,Yan-Bin Chen,Yuefeng Nie,Ronghua Liu,Xiaoxiang Xi

Appl. Phys. Lett. 123, 132601 (2023)

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Emergence of a hidden topological insulator phase in hybrid halide perovskites 

Arpan Bera,Abhishek Maiti,Amlan J. Pal

Appl. Phys. Lett. 123, 133103 (2023)

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Comparison of computational approaches for deriving explosive kinetics and sensitivity 

M. J. Cawkwell,N. Lease,V. W. Manner

AIP Conf. Proc. 2844, 300003 (2023)

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Molecular dynamics of high pressure tin phases: Empirical and machine learned interatomic potentials 

Mary Alice Cusentino,Ben Nebgen,Kipton M. Barros,Justin S. Smith,John D. Shimanek,Alice Allen,Aidan P. Thompson,Saryu J. Fensin,J. Matthew D. Lane

AIP Conf. Proc. 2844, 320002 (2023)

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DC electrical conductivity of platinum from ab initio simulations 

Meghan K. Lentz,Joshua P. Townsend,Kyle R. Cochrane

AIP Conf. Proc. 2844, 320003 (2023)

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