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Preprint ARTICLE | doi:10.20944/preprints202209.0170.v1

Polymorphism and Perfection in Crystallization of Hard Sphere Polymers

Miguel Herranz, Katerina Foteinopoulou, Nikos Ch. Karayiannis, Manuel Laso

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: n/a; Hard Sphere; Crystallization; Entropy-driven phenomena; packing, polymer, molecular simulation, phase transition, face centered-cubic, hexagonal close packed; random walk; colloids; crystal perfection

Online: 13 September 2022 (10:16:17 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202209.0167.v1

Hydroxyl Spectroscopy of Laboratory Air Laser-Ignition

Christian G. Parigger

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: molecular spectroscopy; diatomic molecules; optical emission spectroscopy; laser induced optical breakdown; hydroxyl; nitrogen second positive; cynaide; atomic spectroscopy; plasma physics; astrophysics

Online: 13 September 2022 (09:59:03 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0266.v1

GRASP: the Future!

Ian Grant, Harry M. Quiney

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: relativistic atomic structure; radiative corrections; quantum electrodynamics; numerical methods

Online: 18 July 2022 (10:31:08 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0263.v1

Fundamentals of Universal Gravitation

Ogaba Philip Obande

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Angular momentum; Cosmological periodic envelope; Gal; Newtonian gravitation constant; Nuclear inverse mass-squared force constant

Online: 18 July 2022 (10:22:07 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0244.v1

Non-Monotonic Dc Stark Shifts in the Rapidly Ionizing Orbitals of the Water Molecule

Patrik Pirkola, Marko Horbatsch

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Computational Atomic; Molecular Physics

Online: 18 July 2022 (03:30:21 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202107.0686.v5

A Theoretical Analysis of the Transient Fluctuation Theorem for Accelerated Colloidal Systems in the Long-Time Limit

Yash Lokare

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Time-reversed trajectory; colloidal systems; integral fluctuation theorem; dissipation function; power-law traps

Online: 5 July 2022 (13:40:14 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202206.0304.v1

Relativistic Two-photon Matrix Elements for Attosecond Delays

Eva Lindroth, Jan Marcus Dahlström, Jimmy Vinbladh

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: attoscience; attophysics; photoionization; above-threshold ionization; Wigner-Smith-Eisenbud delay; Dirac-Fock; RRPA; RABBIT; Krypton; Xenon

Online: 22 June 2022 (04:46:15 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202107.0686.v4

A Theoretical Analysis of the Transient Fluctuation Theorem for Accelerated Colloidal Systems in the Long-Time Limit

Yash Lokare

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Time-reversed trajectory; colloidal systems; integral fluctuation theorem; dissipation function; power-law traps

Online: 9 June 2022 (10:48:18 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202107.0686.v3

A Theoretical Analysis of the Transient Fluctuation Theorem for Accelerated Colloidal Systems in the Long-Time Limit

Yash Lokare

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Time-reversed trajectory; colloidal systems; integral fluctuation theorem; dissipation function; power-law traps

Online: 6 June 2022 (09:14:36 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202107.0686.v2

A Theoretical Analysis of the Transient Fluctuation Theorem for Accelerated Colloidal Systems in the Long-Time Limit

Yash Lokare

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Time-reversed trajectory; colloidal systems; integral fluctuation theorem; dissipation function; power-law traps

Online: 13 April 2022 (13:54:12 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202201.0398.v1

Generalizations of the R-Matrix Method to the Treatment of the Interaction of Short Pulse Electromagnetic Radiation with Atoms

Barry Schneider, Kathryn R Hamilton, Klaus Bartschat

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: B-spline R-matrix; R-matrix with time dependence; intense short-pulse extreme ultra14 violet radiation; time-dependent Schrdinger equation; Arnoldi-Lanczos propagation

Online: 26 January 2022 (13:01:07 CET)

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Preprint ARTICLE | doi:10.20944/preprints202112.0260.v1

Weakly-Interacting Bose-Bose Mixtures from the Functional Renormalisation Group

Felipe Isaule, Ivan Morera

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: quantum gases; bose-bose mixtures; bose polarons; renormalisation group

Online: 15 December 2021 (16:56:18 CET)

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Preprint ARTICLE | doi:10.20944/preprints202111.0425.v1

sub-Hz Differential Rotational Spectroscopy of Enantiomers

Lincoln Satterthwaite, Greta Koumarianou, Daniel Sorensen, David Patterson

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: chirality; microwave spectroscopy; electroweak force; precision measurement; differential spectroscopy; parity violation

Online: 23 November 2021 (14:37:44 CET)

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Preprint REVIEW | doi:10.20944/preprints202111.0351.v1

Towards Ultimate High-power Scaling: Coherent Beam Combing of Fiber Lasers

Hossein Fathi, Mikko Närhi, Regina Gumenyuk

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Fiber lasers and amplifiers; pulsed lasers; continuous wave; power scaling; coherent beam combining

Online: 19 November 2021 (12:37:45 CET)

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Preprint ARTICLE | doi:10.20944/preprints202111.0255.v1

Vibration Compensation for a Vehicle-mounted Atom Gravimeter

Jie Guo, Siqian Ma, Chao Zhou, Jixun Liu, Bin Wang, Debin Pan, and Haicen Mao

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: atom gravimeter; vibration compensation; vehicle-mounted

Online: 15 November 2021 (11:34:46 CET)

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Preprint ARTICLE | doi:10.20944/preprints202111.0143.v1

Revealing Trade off Relations Among Thermal Coherences and Correlations in Heisenberg XXX Model Under Inhomogeneous Magnetic Eld

Asad Ali, Mustansar N Nadeem, A.H Toor, Junaid Ulhaq, Shah Ahad

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Quantum Information; Quantum FIsher Information; Negativity; First Order Coherence; Heisenberg Model

Online: 8 November 2021 (13:24:30 CET)

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Preprint COMMUNICATION | doi:10.20944/preprints202110.0133.v1

The Frequency Fluctuation Model for the van der Waals Broadening

Andrei Letunov, Valery Lisitsa, Valery Astapenko

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Spectroscopy; Stark broadening; Atomic physics

Online: 8 October 2021 (10:43:44 CEST)

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Preprint REVIEW | doi:10.20944/preprints202110.0113.v1

Factorization in Molecular Modeling and Belief Propagation Algorithms

Pu Tian

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Factorization; molecular modeling; belief propagation; sum-product; local distribution theory

Online: 7 October 2021 (10:31:52 CEST)

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Preprint REVIEW | doi:10.20944/preprints202109.0324.v1

Fundamentals of Diatomic Molecular Spectroscopy

Christian G Parigger

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Foundations of Quantum Mechanics; Molecular Spectroscopy; Diatomic Molecules; Symmetry Transformations; Optical Emission Spectroscopy; Astrophysics

Online: 20 September 2021 (10:45:08 CEST)

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Working Paper ARTICLE

Vibrational Excitation Cross Section by Positron Impact. A Wavepacket Dynamics Study

Luis A. Poveda, Marcio T. do N. Varella, José R. Mohallem

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: positron; model potential; wavepacket propagation; vibrational cross section

Online: 7 September 2021 (12:00:07 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202108.0504.v1

A Miniature Permanent Magnet Assembly with Localized and Uniform Field with an Application to Optical Pumping of Helium

Garnet Cameron, Jonathan Cuevas, Jeffrey Pound Jr., David Shiner

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: optical pumping; annular permanent magnet; miniature magnet; laser orbital angular mo-mentum; collimated magnetic field; fringe magnetic field

Online: 26 August 2021 (10:03:32 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202108.0431.v1

Characteristic Length Scale during the Time Evolution of a Turbulent Bose-Einstein Condensate

Lucas Madeira, Arnol D. García-Orozco, Michelle A. Moreno-Armijos, Francisco Ednilson Alves dos Santos, Vanderlei S. Bagnato

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: quantum turbulence; Bose-Einstein condensate; out-of-equilibrium

Online: 23 August 2021 (12:13:25 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202104.0201.v1

Application of Optimal Control Theory to Fourier Transform Ion Cyclotron Resonance

Vardan Martikyan, Camille Beluffi, Steffen J. Glaser, Marc-André Delsuc, Dominique Sugny

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Optimal control; Robust protocol; Ion Cyclotron Resonance

Online: 7 April 2021 (11:57:59 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202103.0543.v1

Unveiling the Fundamental Mechanisms of Graphene Oxide Selectivity on the Ascorbic Acid, Dopamine, and Uric Acid by Density Functional Theory Calculations and Charge Population Analysis

Kittiya Prasert, Thana Sutthibutpong

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Density Functional Theory; AA, UA, and DA Detections; Graphene Oxide

Online: 22 March 2021 (15:39:07 CET)

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Preprint BRIEF REPORT | doi:10.20944/preprints202012.0510.v3

On Some Damped 2 Body Problems

Alain Haraux

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: gravitation; singular potential; global solutions; spiraling orbit

Online: 5 January 2021 (10:07:44 CET)

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Preprint BRIEF REPORT | doi:10.20944/preprints202012.0510.v2

On Some Damped 2 Body Problems

Alain Haraux

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: gravitation; singular potential; global solutions; spiraling orbit

Online: 23 December 2020 (17:25:05 CET)

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Preprint BRIEF REPORT | doi:10.20944/preprints202012.0510.v1

On Some Damped 2 Body Problems

Alain Haraux

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: gravitation; singular potential; global solutions; spiraling orbit

Online: 21 December 2020 (11:19:42 CET)

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Preprint ARTICLE | doi:10.20944/preprints202011.0225.v1

The Coulomb Symmetry and a Universal Representation of Rydberg Spectral Line Shapes in magnetized Plasmas

Andrei Letunov, Lisitsa Valery

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Stark-Zeeman effect; Rydberg atom; plasma spectroscopy

Online: 6 November 2020 (08:01:41 CET)

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Preprint ARTICLE | doi:10.20944/preprints202010.0442.v1

Finite-Field Calculations of Transition Properties by the Fock Space Relativistic Coupled Cluster Method: Transitions between Different Fock Space Sectors

Andrei Zaitsevskii, Alexander Oleynichenko, Ephraim Eliav

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: relativistic multireference coupled cluster method; heavy element compounds; transition properties

Online: 21 October 2020 (14:24:58 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202009.0397.v1

Broadband Time-Resolved Absorption and Dispersion Spectroscopy of Methane and Ethane in A Plasma Using a Mid-Infrared Dual-Comb Spectrometer

Muhammad Ali Abbas, Luuk van Dijk, Khalil Eslami Jahromi, Mohammadreza Nematollahi, Frans J.M. Harren, Amir Khodabakhsh

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: dual frequency comb spectroscopy; mid-infrared absorption and dispersion spectroscopy; electrical discharge plasma; time-resolved plasma kinetics

Online: 17 September 2020 (11:03:42 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202009.0046.v1

Searching Hit Potential Antimicrobials in Natural Compounds Space Against Biofilm Formation

Roberto Pestana, Jorge Leyva, Juvenal Yosa

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Biofilms; virtual screening; molecular dynamics; natural products; binding energy; trans-Aconitic acid; hit-to-lead

Online: 3 September 2020 (03:53:16 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202008.0142.v1

Doubly-charged Negative Ions as Novel Tunable Catalysts: Graphene and Fullerene Molecules Versus Atomic Metals

Kelvin Suggs, Alfred Z Msezane

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: graphene; fullerenes; atomic metals; doubly-charged anions; tunable catalysts; water oxidation; electron scattering

Online: 6 August 2020 (10:04:21 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202008.0053.v1

Analysis of Environmental Factors Caused by Exposure to Air Pollution in Yeosu Industrial Complex: Analyzing Google Trend Trends in Cancer Generation through Big Data

Kil Yong Choi, BuSoon Son, WonHo Yang

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Google Trend; Particulate Matter; National Ambient Air Quality Monitoring Information System; Chronic obstructive pulmonary disease; Big Data

Online: 2 August 2020 (18:29:51 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202008.0009.v1

Entropy of a Turbulent Bose-Einstein Condensate

Lucas Madeira, Arnol Daniel García-Orozco, Francisco Ednilson Alves dos Santos, Vanderlei Salvador Bagnato

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: quantum turbulence; Bose-Einstein condensate; out-of-equilibrium; particle cascade

Online: 2 August 2020 (10:43:39 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201909.0166.v2

Discrimination of Acne Vulgaris with Human Scalp Hair Tissues Using FTIR-ATR Spectroscopy

Padmavathi Ramanujam, Rajamannan B, Gunasekaran S, Ramkumar GR, Sankari G, Muthu S

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Acne Vulgaris; Hair tissue samples; Discrimination; FTIR-ATR

Online: 16 July 2020 (03:57:57 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202005.0492.v1

Charge Conjugation Symmetry in the Finite Basis Approximation of the Dirac Equation

Maen Salman, Trond Saue

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Dirac equation; finite basis approximation; charge conjugation symmetry; kinetic balance

Online: 31 May 2020 (18:43:04 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202002.0420.v1

Fullerene Negative Ions: Formation and Catalysis

Zineb Felfli, Kelvin Suggs, Nantambu Nicholas, Alfred Z. Msezane

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Fullerene anions; electron cross sections; polarization interaction; water oxidation; anionic catalysis

Online: 28 February 2020 (11:46:47 CET)

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Preprint ARTICLE | doi:10.20944/preprints202002.0013.v1

Spectral Function of a Boson Ladder in an Artificial Gauge Field

Roberta Citro, Anna Minguzzi, Edmond Orignac, Stefania De Palo, Nicolas Victorin

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: bosonization; Bogoliubov approximation; artificial gauge field; spectral functions

Online: 3 February 2020 (05:04:49 CET)

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Working Paper ARTICLE

Laser-Plasma Spatio-Temporal Cyanide Spectroscopy and Applications

Christian G. Parigger, Christopher M. Helstern, Benjamin S. Jordan, David M. Surmick, Robert Splinter

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: plasma diagnostics; molecular spectra; diatomic molecules; plasma spectroscopy; laser spectroscopy; laser-induced breakdown spectroscopy; optical emission spectroscopy; hypersonic expansion

Online: 15 January 2020 (07:12:25 CET)

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Preprint ARTICLE | doi:10.20944/preprints201910.0013.v1

Tracking Temporal Development of Optical Thickness of Hydrogen Alpha Spectral Radiation in a Laser Induced Plasma

David M. Surmick, Christian G. Parigger

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: atomic spectroscopy; radiation transfer; hydrogen; laser-induced breakdown spectroscopy; stark broadening

Online: 2 October 2019 (03:42:34 CEST)

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Working Paper ARTICLE

Mass and Energy Densities of the Cosmos

Ogaba Philip Obande

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Cosmic mass and energy densities; Dark matter and dark energy; LambdaCDM value; Metric space curvature and expansion; Vacuum field density

Online: 23 September 2019 (10:19:47 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201909.0194.v1

Line Shapes in a Magnetic Field: Trajectory Modifications II: Full Collision-Time Statistics

Spiros Alexiou

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Stark broadening; magnetic field; spiralling trajectories; collision-time statistics

Online: 17 September 2019 (15:47:51 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201909.0166.v1

Discrimination of Acne Vulgaris with Human Scalp Hair Tissues Using - FTIR-ATR Spectroscopy

Padmavathi R, Gunasekaran S, Rajamannan B, Ramkumar GR, Sankari G, Muthu S

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Acne Vulgaris; hair tissue samples; discrimination; FTIR-ATR

Online: 16 September 2019 (12:01:49 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201909.0074.v1

Mass and Energy Densities of the Cosmos

Ogaba Philip Obande

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Cosmic mass and energy densities; Dark matter and dark energy; LambdaCDM value; Metric space curvature and expansion; Vacuum field density

Online: 6 September 2019 (10:53:04 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201909.0069.v1

On The Extension of Compton's Experiment: A Theoretical Investigation

Amal Pushp Fras

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Compton Scattering, Gamma Ray Spectroscopy

Online: 6 September 2019 (09:35:13 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201907.0331.v1

Quantitative Analysis of Cerium-Gallium Alloys Using a Hand-Held Laser Induced Breakdown Spectroscopy Device

Ashwin Rao, Matthew Cook, Howard Hall, Michael Shattan

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: plasma spectroscopy; nuclear forensics; analytical chemistry; nuclear chemistry; lanthanide spectroscopy; LIBS

Online: 29 July 2019 (05:32:11 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201907.0156.v1

Spatial Molecular AlO Temperature Distributions in Laser-Induced Plasma

David M. Surmick, Daryl J. Dagel, Christian G. Parigger

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: molecular spectroscopy; diatomic spectroscopy; Abel transform; plasma spectroscopy; laser-induced breakdown spectroscopy; laser-induced plasma; plasma dynamics

Online: 11 July 2019 (09:30:23 CEST)

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Working Paper ARTICLE

Design and Construction of Magnetic Coils for Quantum Magnetism Experiments

Graciana Puentes

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Cold atoms, Zeeman slower, quadrupole magnetic trap

Online: 8 July 2019 (13:59:50 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201907.0033.v1

Plasma Spectroscopy of Various Types of Gypsum: An ideal Terrestrial Analogue

Abhishek K. Rai, Jayanta K. Pati, Christian G. Parigger, Awadhesh K. Rai

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: laser-induced plasma; atomic spectroscopy; laser-induced breakdown spectroscopy; 29 atomic spectroscopy; principal component analysis; partial least-square regression; gypsum; Mars

Online: 2 July 2019 (08:03:52 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201906.0221.v1

Opacity Corrections for Resonance Silver Lines in Nano-Material Laser-Induced Plasma

Ashraf M. EL Sherbini, Tharwat M. EL Sherbini, Christian G. Parigger

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: laser-induced plasma; atomic spectroscopy; self-reversal; self-absorption; nanoparticles; silver; hydrogen

Online: 22 June 2019 (11:43:23 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201903.0065.v1

On the Approximate Evaluation of Some Oscillatory Integrals

Robert Beuc, Mladen Movre, Berislav Horvatić

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: oscillatory integrals; stationary point approximation; semi-classical theory, uniform Airy approximation

Online: 5 March 2019 (12:34:07 CET)

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Preprint ARTICLE | doi:10.20944/preprints201812.0331.v1

Extreme Learning Machine for Robustness Enhancement of Gas Detection Based on Tunable Diode Laser Absorption Spectroscopy

Wenhai Ji, Li Zhong, Ying Ma, Di Song, Xiaocui Lv, Chuantao Zheng, Guolin Li

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: gas analyzers; optical sensors; TDLAS; extreme learning machine

Online: 28 December 2018 (05:05:28 CET)

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Preprint ARTICLE | doi:10.20944/preprints201812.0121.v1

Method of Accounting for Higher Harmonics in the Calculation of the Electronic Structure of the States of a Linear Molecule Excited by High-Intensity X-Rays

Anton Kasprzhitskii, Georgy Lazorenko, Victor Yavna

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: one-center method, molecular orbital, higher harmonics, excited state, ionized state, linear molecule, hydrogen fluoride, lithium monofluoride, boron monofluoride

Online: 11 December 2018 (09:37:53 CET)

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Preprint ARTICLE | doi:10.20944/preprints201812.0054.v1

The Vacuum Polarization Paradox and Its Solution

Engel Roza

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: quantum gravity; vacuum polarization; gravitational dipole; Majorana particle

Online: 4 December 2018 (09:54:13 CET)

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Preprint ARTICLE | doi:10.20944/preprints201811.0057.v1

Two-Photon Vibrational Transitions in O₂⁺ as Probes of Variation of the Proton-to-Electron Mass Ratio

Ryan Carollo, Alexander Frenett, David Hanneke

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: precision measurements; fundamental constants; variation of constants; proton-to-electron mass ratio; molecular ions; forbidden transition; two-photon transition; vibrational overtone

Online: 2 November 2018 (12:58:06 CET)

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Preprint CONCEPT PAPER | doi:10.20944/preprints201810.0700.v1

Mixed-State Ionic Beams: An Effective Tool for Collision Dynamics Investigations

Emmanouil P. Benis, Ioannis Madesis, Angelos Laoutaris, Stefanos Nanos, Theo J. M. Zouros

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: zero-degree Auger projectile spectroscopy; mixed-state beams; metastable states; He-like states; Li-like states; Be-like states; cascade feeding; electron transfer excitation; electron excitation; electron transfer; hollow states; SIMION

Online: 30 October 2018 (03:53:32 CET)

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Preprint ARTICLE | doi:10.20944/preprints201810.0396.v1

A Study of the Spectroscopic Performance of Laser Produced CdTe Plasma

Kadhim A. Aadim, Ghaith H. Jihad

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: laser induced plasma spectroscopic (LIPS); optical emission spectroscopic (OES); spectroscopy diagnostic; cadmium telluride (CdTe)

Online: 18 October 2018 (04:26:08 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201809.0560.v1

Inverse Multiquadratic Functions as Basis for Rectangular Collocation Method to Solve the Vibrational Schrödinger Equation

Aditya Kamath, Sergei Manzhos

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Schrödinger equation; vibrational spectrum; collocation; inverse multiquadratic function; rectangular matrix

Online: 28 September 2018 (10:15:42 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201809.0080.v1

Quantitative Evaluation of Broadband Photoacoustic Spectroscopy in the Infrared With an Optical Parametric Oscillator

Henry Bruhns, Marcus Wolff, Yannick Saalberg, Klaus Michael Spohr

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: photoacoustic spectroscopy; PAS; hydrocarbons; optical-parametric oscillator; OPO; gas sampling; spectral deconvolution; EUREQA

Online: 5 September 2018 (04:01:48 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201808.0003.v1

Measurement of Electron Density from Stark-Broadened Nanomaterial Plasma

Ashraf M. EL Sherbini, Ahmed E. EL Sherbini, Christian G. Parigger

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: laser-induced plasma; stark broadening; electron density; nanomaterial; atomic spectroscopy; silver; hydrogen

Online: 1 August 2018 (08:02:03 CEST)

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Preprint REVIEW | doi:10.20944/preprints201807.0532.v1

Application of Laboratory Atomic Physics to Some Significant Stellar Chemical Composition Questions

Christopher Sneden, James E. Lawler, Michael P. Wood

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: atomic physics; transition probabilities; hyperfine and isotopic substructure; stellar spectroscopy; chemical compositions

Online: 27 July 2018 (04:34:38 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201807.0376.v1

Self-Absorption Analysis of Silver Resonance Lines in Nano-Material Laser Produced Plasma

Ashraf M. El Sherbini, Mohamed A. Hagras , Mohamed R. Rizk , El-Sayed A. El Badawy, Christian G. Parigger

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: laser-induced plasma; atomic spectroscopy; self-absorption; nanoparticles; silver; hydrogen

Online: 20 July 2018 (05:49:30 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201807.0229.v1

Plasma Expansion Dynamics in Ultra-High-Pure Hydrogen Gas

Ghaneshwar Gautam, Christian G. Parigger

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: laser-plasma interactions; plasma dynamics and flow; hypersonic flows; emission spectra

Online: 13 July 2018 (10:16:46 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201807.0212.v1

Optical Pumping of TeH⁺: Implications for Search for Varying m_p/m_e

Patrick R. Stollenwerk, Mark G. Kokish, Antonio G. S. de Oliveira-Filho, Fernando R. Ornellas, Brian C. Odom

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: time variation of constants; proton-electron mass ratio; molecular ion; laser cooling

Online: 12 July 2018 (08:04:03 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201807.0038.v1

Towards the Provision of Accurate Atomic Data for Neutral Iron

Andrew Conroy, Catherine Ramsbottom, Connor Ballance, Francis Keenan

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: atomic data

Online: 3 July 2018 (11:25:13 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201806.0423.v1

Multi-Scale Computational Simulation of Amorphous Silicates. Structural, Dielectric and Vibrational Spectroscopic Properties

José Ángel Martínez-González, Javier Navarro-Ruiz, Albert Rimola

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: DFT; periodic simulations; amorphous minerals; physico-chemical properties; super-cell

Online: 26 June 2018 (13:10:49 CEST)

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Silicates are among the most abundant and important inorganic materials, not only in the Earth’s crust but also in the interstellar medium in the form of micro-/nano-particles or embedded in the matrices of comets, meteorites and other asteroidal bodies. Although the crystalline phases of silicates are indeed present in Nature, amorphous forms are also highly abundant. Here we report a theoretical investigation of the structural, dielectric and vibrational properties of the amorphous bulk for forsterite (Mg₂SiO₄) as a silicate test case by a combined approach of classical molecular dynamics (MD) simulations for structure evolution, and periodic quantum mechanical DFT calculations for electronic structure analysis. Using classical MD based on an empirical partial charge rigid ionic model within a melt-quenching scheme at different temperatures performed with the GULP 4.0 code amorphous bulk structures for Mg₂SiO₄ were generated using as initial guess the crystalline phase. This has been done for bulks with three different unit cell sizes adopting a super-cell approach; i.e., 1×1×2, 2×1×2 and 2×2×2. The radial distribution functions indicated a good degree of amorphisation of the structures. Periodic B3LYP-geometry optimizations performed with the CRYSTAL14 code on the generated amorphous systems were used to analyze their structure, to calculate their high frequency dielectric constants (ε_∞), and to simulate the IR, Raman and reflectance spectra, which were compared with the experimental and theoretical crystalline Mg₂SiO₄. The most significant changes of the physico-chemical properties of the amorphous systems compared to the crystalline ones are presented and discussed (e.g., larger deviations in the bond distances and angles, broadening of the IR bands, etc.), which are consistent with their disordered nature. It is also shown that by increasing the unit cell size the bulk structures present larger degree of amorphisation.

Preprint ARTICLE | doi:10.20944/preprints201804.0373.v1

A Method for Measuring the Real Part of the Weak Value of Spin for Metastable Atoms

Robert Flack, Vincenzo Monachello, Basil Hiley, Peter Barker

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: weak measurement; transition probability amplitude; atomic metastable states

Online: 29 April 2018 (10:01:25 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201804.0142.v1

The Symmetry of Linear Molecules

Katy L. Chubb, Per Jensen, Sergei N. Yurchenko

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: symmetry; linear molecules; group theory; finite symmetry; point groups

Online: 11 April 2018 (08:07:38 CEST)

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A numerical application of linear-molecule symmetry properties, described by the D_∞h point group, is formulated in terms of lower-order symmetry groups D_n_h with finite n. Character tables and irreducible representation transformation matrices are presented for D_n_h groups with arbitrary n-values. These groups are subsequently used in the construction of symmetry-adapted ro-vibrational basis functions for solving the Schrödinger equations of linear molecules as part of the variational nuclear motion program TROVE. The TROVE symmetrisation procedure is based on a set of "reduced" vibrational eigenvalue problems with simplified Hamiltonians. The solutions of these eigenvalue problems have now been extended to include the classification of basis-set functions using ℓ, the eigenvalue (in units of ℏ) of the vibrational angular momentum operator

{\hat{L}}_{z}

. This facilitates the symmetry adaptation of the basis set functions in terms of the irreducible representations of D_n_h. ¹²C₂H₂ is used as an example of a linear molecule of D_∞h point group symmetry to illustrate the symmetrisation procedure.

Preprint ARTICLE | doi:10.20944/preprints201803.0056.v1

Matrix Methods for Solving Hartree-Fock Equations in Atomic Structure Calculations and Line Broadening

Thomas Gomez, Taisuke Nagayama, Dave Kilcrease, Stephanie Hansen, Mike Montgomery, Don Winget

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: atomic structure; hartree fock; exchange; line broadening; scattering

Online: 8 March 2018 (02:10:55 CET)

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Preprint ARTICLE | doi:10.20944/preprints201803.0037.v1

Broadening of the Neutral Helium 492 nm Line in a Corona Discharge: Code Comparisons and Data Fitting

Roshin Raj Sheeba, Mohammed Koubiti, Nelly Bonifaci, Franck Gilleron, Jean-Christophe Pain, Evgeny Stambulchik

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Stark broadening; van der Waals broadening; line shapes; helium plasma; corona discharge; plasma diagnostics; code comparison; neutral broadening; pressure broadening

Online: 7 March 2018 (13:36:47 CET)

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Preprint ARTICLE | doi:10.20944/preprints201803.0040.v1

H-β Line in a Corona Helium Plasma: A Multi-Code Line Shape Comparison

Roshin Raj Sheeba, Mohammed Koubiti, Nelly Bonifaci, Franck Gilleron, Caroline Mossé, Jean-Christophe Pain, Joël Rosato, Evgeny Stambulchik

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: stark broadening; van der waals broadening; line shapes; helium plasma; corona discharge; plasma diagnostics; code comparison; neutral broadening; pressure broadening

Online: 6 March 2018 (03:51:17 CET)

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Preprint ARTICLE | doi:10.20944/preprints201803.0013.v1

The Fourth Workshop on Lineshape Code Comparison: Line Merging

Spiros Alexiou, Evgeny Stambulchik, Thomas Gomez, Mohammed Koubiti

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Plasma spectroscopy; Line broadening; Series limit; Balmer lines; Inglis-Teller limit; line merging.

Online: 1 March 2018 (16:38:57 CET)

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Preprint ARTICLE | doi:10.20944/preprints201709.0107.v2

Rosetta Mission: Electron Scattering Cross Sections—Data Needs and Coverage in BEAMDB Database

Bratislav P. Marinković, Jan Hendrik Bredehöft, Veljko Vujčić, Darko Jevremović, Nigel J. Mason

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: electron scattering; cross sections; Rosetta mission; atomic and molecular databases

Online: 21 October 2017 (15:30:59 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201709.0107.v1

Rosetta Mission: Electron Scattering Cross Sections - Data Needs and Coverage in BEAMDB Database

Bratislav P. Marinković, Jan Hendrik Bredehöft, Veljko Vujčić, Darko Jevremović, Nigel J. Mason

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: electron scattering; cross sections; Rosetta mission; atomic and molecular databases

Online: 22 September 2017 (09:10:18 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201709.0021.v1

Comparing Markov Chain Samplers for Molecular Simulation

Robert D. Skeel, Youhan Fang

Subject: Physical Sciences, Atomic & Molecular Physics Keywords: Markov chain Monte Carlo; stochastic dynamics integrators; decorrelation time; integrated autocorrelation time

Online: 7 September 2017 (03:43:35 CEST)

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