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# Molecular Physics - Science topic

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Publications related to Molecular Physics (10,000)
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Due to its nature as a strongly correlated quantum liquid, ultracold helium is characterized by the nontrivial interplay of different physical effects. Bosonic $$^4{\text {He}}$$ 4 He exhibits superfluidity and Bose-Einstein condensation. Its physical properties have been accurately determined on the basis of ab initio path integral Monte Carlo (PI...
Preprint
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Ultralong-range Rydberg molecules provide an exciting testbed for molecular physics at exaggerated scales. In the so-called trilobite and butterfly Rydberg molecules, the Born-Oppenheimer approximation can fail due to strong non-adiabatic couplings arising from the combination of radial oscillations and rapid energy variations in the adiabatic pote...
Preprint
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A recent progress on laser cooling of molecules are summarized. Since the development during 1980s for atomic species, laser cooling has been the very beginning step to cool and trap atoms for frontier research on quantum simulations, quantum sensing and precision measurements. Despite the complex internal structures of molecules, laser cooling of...
Presentation
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Noves Ricerca in association with NeuroQuantology Journal (PubMed, Scopus Q3) is proudly announce its First ever Conference on Applied Physics & Mathematics held during September 18-19, 2023 in Singapore City, Singapore. Its points is to bring the leading speakers for introducing novel and basic advances in the fields of Applied Physical science an...
Article
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Due to the increasing demand for new materials and drugs in the manufacturing and pharmaceutical fields, it is difficult to meet the requirements of high-throughput screening of materials and drugs by measuring the physical and chemical properties of molecular structures with traditional methods. Researchers seek to reveal the relationship between...
Article
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The movement of natural gas components through a crystalline fragment of C60 fullerite in a simple cubic phase is numerically investigated. The methods of classical molecular physics, the Monte Carlo and Euler approaches, and a step-by-step numerical method of a high order of accuracy are used to study the effects arising from the passage of the pa...
Preprint
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We present the status of the research in the field of atomic and molecular physics in Africa as well as some challenges hindering the efforts being made by the African scientists. We further report the discussions and progress of the African Strategy for Fundamental and Applied Physics (ASFAP) working group on Atomic and Molecular physics with the...
Preprint
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The best way to model, understand, and quantify the information contained in complex systems is an open question in physics, mathematics, and computer science. The uncertain relationship between entropy and complexity further complicates this question. With ideas drawn from the object-relations theory of psychology, this paper develops an object-re...
Preprint
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Radio-frequency (RF) signal generators are standard laboratory equipment and a wide-range of open-source and commercial devices exists to address their many applications. Nonetheless, only few expensive and proprietary solutions can be re-configured within a wide frequency band and triggered on a micro-second timescale. Such specifications are requ...
Article
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Over the last 20 years, XUV and X-ray free-electron lasers have enabled a wide variety of time-resolved experiments that have dramatically advanced our understanding of ultrafast molecular dynamics on atomic length scales and femtosecond time scales. This review focuses on experimental studies of ultrafast dynamics of atoms and molecules in the gas...
Article
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Charts are often used for the graphical representation of tabular data. Due to their vast expansion in various fields, it is necessary to develop computer algorithms that can easily retrieve and process information from chart images in a helpful way. Convolutional neural networks (CNNs) have succeeded in various image processing and classification...
Article
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This article discusses how the pattern of elastic scattering of an electron on a pair of identical atomic centers is modified if we abandon the assumption, standard in molecular physics, that outside of some molecular sphere surrounding the centers, the wave function of the molecular continuum is atomic-like, being a linear combination of the regul...
Preprint
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While large-scale volunteer-based studies such as the UK Biobank (UKBB) have become the cornerstone of genetic epidemiology, the study participants are rarely representative of their target population. Here, we aim to evaluate the impact of non-random participation in the UKBB, and to pin down areas of research that are particularly susceptible to...
Article
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In this study, the effects of Aharonov-Bohm (AB) and magnetic fields on the thermodynamic and magneto-transport properties of TiH diatomic molecule using the Deng-Fan potential as a model are investigated. The functional analysis approach (FAA) is used to solve the Schrodinger equation in the presence of magnetic and AB fields with Deng-Fan potenti...
Article
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Multichannel single center (MCSC) method for the theoretical description of the electron continuum spectrum in molecules is reported. The method includes coupling between different continuum channels via electron correlations and describes, thereby, photoelectron continuum in the Tamm-Dancoff (configuration interaction singles) approximation. Basic...
Article
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Colloidal quantum dots (QDs) are excellent optical gain materials that combine high material gain, a strong absorption of pump light, stability under strong light exposure and a suitability for solution-based processing. The integration of QDs in laser cavities that fully exploit the potential of these emerging optical materials remains, however, a...
Article
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Wavelet theory has disentangled numerous complexities, including those pertinent to transient and steady‐state responses of systems, when Laplace and Fourier transforms face insoluble obstacles. Reactive linear components (e.g. inductors and capacitors) are typically handled in the frequency plane. Non‐linear (e.g. diodes) or time‐variant component...
Preprint
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The motion of three-phase contact lines is one of the most relevant research topics of micro- and nano-fluidics. According to many hydrodynamic and molecular models, the dynamics of contact lines is assumed overdamped and dominated by localised liquid-solid friction, entailing the existence of a mobility relation between contact line speed and micr...
Article
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In Auschwitz-Birkenau men and women were detained separately; anecdotal evidence suggests that they behaved differently. However, producing evidence based insights into victims' behavior is challenging. Perpetrators frequently destroyed camp documentations; victims' perspective remains dispersed in thousands of oral history interviews with survivor...
Preprint
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In this study, the quantum 3-body harmonic system with finite rest length $R$ and zero total angular momentum $L=0$ is explored. It governs the near-equilibrium $S$-states eigenfunctions $\psi(r_{12},r_{13},r_{23})$ of three identical point particles interacting by means of any pairwise confining potential $V(r_{12},r_{13},r_{23})$ that entirely de...
Preprint
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To design increasingly tough, resilient, and fatigue-resistant elastomers and hydrogels, the relationship between controllable network parameters at the molecular level to macroscopic quantities that govern damage and failure must be established. Constitutive models based upon statistical mechanics have used variants of the freely jointed chain (FJ...
Article
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The photodetachment spectrum of the nitrate anion (NO3-) in the energy range of the NO3 second excited state is simulated from first principles using quantum wave packet dynamics. The prediction at 10 K and 435 K relies on the use of an accurate full-dimensional fully coupled five state diabatic potential model utilizing an artificial neural networ...
Article
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The classical three-body harmonic system in $${\mathbb {R}}^d$$ R d ( $$d>1$$ d > 1 ) with finite rest lengths and zero total angular momentum $$L=0$$ L = 0 is considered. This model describes the dynamics of the $$L=0$$ L = 0 near-equilibrium configurations of three point masses $$(m_1,m_2,m_3)$$ ( m 1 , m 2 , m 3 ) with arbitrary pairwise potenti...
Article
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Growing CdSe/CdS nanocrystals from a large CdSe core, and employing a giant CdS shell, a continuous, broadband gain spectrum, covering the spectral range between the CdSe and the CdS band edge, is induced. As revealed by k·p calculations, this feature is enabled by a set of closely spaced S‐, P‐ and, for larger CdSe cores, D‐state hole levels, whic...
Article
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It is demonstrated that dipolar doping of hole transport layers (HTLs) controls the density and polarity of the accumulated charge at the critical interface between the HTL and the emission layer (EML) in organic light‐emitting diodes (OLEDs). Dipolar doping enables spontaneous orientation polarization (SOP) even in nonpolar HTL, and consequently c...
Article
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The major goal of this study is to look at the Lennard-Jone's Potential (LJP) of different atoms and molecules as they interact. For this, we develop a mathematical model and compute developed model using MATLAB to investigate the Lennard-Jones Potential direct correlation function (LJPDCF) of different atoms/molecules interactions. The carbon-carb...
Article
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In this study, the solutions of the Schrodinger equation (SE) with modified Hylleraas potential in arbitrary dimensions was obtained using the asymptotic iteration method (AIM) to obtain the energy and wave functions, respectively. The energy equation was used to obtain the thermal properties of this system. The effect of the potential parameters a...
Article
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Atomic processes in plasmas and gases encompass broad areas in theoretical and experimental atomic and molecular physics [...]
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In atomic and molecular physics, the Pöschl-Teller potential and its modified form (hyperbolic Pöschl-Teller potential) are particularly significant potentials. It is of great importance to study the Schrödinger equation with those potentials. In this paper, we further extend the hyperbolic Pöschl-Teller potential through generalizing the superpote...
Article
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This review is the first part of a comprehensive review of hydrophobisation of lignocellulosic materials. The purpose of this review has been to compare physical hydrophobisation methods of lignocellulosic materials. We have compared molecular physical adsorption with plasma etching and grafting. Adsorption methods are facile and rely upon the simp...
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HCN and its unstable isomer HNC are widely observed throughout the interstellar medium, with the HNC/HCN abundance ratio correlating strongly with temperature. In very cold environments HNC can even appear more abundant than HCN. Here we use a chirped pulse Fourier transform spectrometer to measure the pressure broadening of HCN and HNC, simultaneo...
Preprint
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The study of molecular physics using ultracold gases has provided a unique probe into the fundamental properties of nature and offers new tools for quantum technologies. In this article we outline how the use of a space environment to study ultracold molecular physics opens opportunities for 1) exploring ultra-low energy regimes of molecular physic...
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N-body simulations and trajectory analysis rely on the calculation of attributes that depend on pairwise particle distances within a cutoff. Interparticle potential energies, forces, distribution functions, neighbor lists, and distance-dependent distributions, for example, must be calculated. Cell lists are widely used to avoid computing distances...
Article
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The motion of the three-phase contact line between two immiscible fluids and a solid surface arises in a variety of wetting phenomena and technological applications. One challenge in continuum theory is the effective representation of molecular motion close to the contact line. Here, we characterize the molecular processes of the moving contact lin...
Article
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ANNOTATION Oil and gas reservoirs exhibiting low reservoir properties often have significant deviations in structure of hydrocarbon reservoirs they contain, based on anticlinal theory of oil and gas accumulation. First, these deviations are related to sharp fluctuations found in water-oil and water-gas interfaces and failure to subordinate the shap...
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The magnetic anisotropy of the quantum-critical spin-chain system YbAlO3\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_3$$\end{document} is studied in detail in its p...
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Quantum interference between multiple pathways in molecular photodissociation often results in angular momentum polarization of atomic products and this can give deep insight into fundamental physical processes. For dissociation of diatomic molecules, the resulting orbital polarization is fully understood and consistent with quantum mechanical theo...
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This paper reports on new schemes based on the concept of tri-state switching for routing linear arrays of light-emitting diodes (LEDs) on slim substrates. The schemes use a minimal number of wires in single-metal planar technologies, where wires are not allowed to cross. They have in common that the number of LEDs, NL, addressable by NW wires is g...
Article
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The ground and excited electronic states of the diatomic molecules CaCs and CaNa have been investigated by implementing the ab initio CASSCF/(MRCI + Q) calculation. The potential energy curves of the doublet and quartet electronic low energy states in the representation 2s+1Λ(±) have been determined for the two considered molecules, in addition to...
Preprint
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Full-waveform inversion is a cutting-edge methodology for recovering high-resolution subsurface models. However, one of the main conventional full-waveform optimization problems challenges is cycle-skipping, usually leading us to an inaccurate local minimum model. A highly investigated track to alleviate this challenge involves designing a more glo...
Article
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Analyses of the relationships between climate, air substances and health usually concentrate on urban environments because of increased urban temperatures, high levels of air pollution and the exposure of a large number of people compared to rural environments. Ongoing urbanization, demographic ageing and climate change lead to an increased vulnera...
Article
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In this article, the Varshni potential is analyzed taking into consideration the effects of magnetic and AB flux fields within the non-relativistic regime using the Nikiforov-Uvarov-Functional Analysis method (NUFA) method. The energy equation and wave function of the system are obtained in close form. We find that the entirety of effects of these...
Book
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This book comprises “UNDERGRADUATE OBJECTIVE PHYSICS”. This book comprises energy sciences, material sciences, nanotechnology, superconductivity, quantum Mechanics, atomic and molecular physics, astrophysics, etc topics which are multiple choice questions with their answers. The book has been contrived considering the new UGC Syllabus of T. Y. B. S...
Article
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The global quantum information-theoretical analysis of the class of Yukawa potential (CYP) in the presence of magnetic and Aharonov–Bohm (AB) fields has been examined both analytically and numerically in this research piece. The energy equation and wave function for the CYP are obtained by solving the Schrodinger equation in the presence of externa...
Article
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The driven quantum asymmetric top is an important paradigm in molecular physics with applications ranging from quantum information to chiral-sensitive spectroscopy. A key prerequisite for these applications is the ability to completely control the rotational dynamics. The inherent degeneracy of quantum rotors poses a challenge for quantum control s...
Article
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Due to the lack of specific collisional data, the abundance of NS+ in cold dense interstellar clouds was determined using collisional rate coefficients of CS as substitute. To better understand the chemistry of sulfur in the interstellar medium, further abundance modeling using the actual NS+ collisional rate coefficients are needed. For this purpo...
Article
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This paper demonstrates how the PIXAPP Photonics Packaging Pilot Line uses its extensive packaging capabilities across its European partner network to design and assemble a highly integrated silicon photonic-based optical transceiver. The processes used are based on PIXAPP's open access packaging design rules or Assembly Design Kit (ADK). The trans...
Article
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Focal onset epileptic seizures are highly heterogeneous in their clinical manifestations, and a robust seizure detection across patient cohorts has to date not been achieved. Here, we assess and discuss the potential of supervised machine learning models for the detection of focal onset motor seizures by means of a wrist-worn wearable device, both...
Preprint
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The classical three-body harmonic system in $\mathbb{R}^d$ ($d>1$) with finite rest lengths and zero total angular momentum $L=0$ is considered. This model describes the dynamics of the $L=0$ near-equilibrium configurations of three point masses $(m_1,m_2,m_3)$ with arbitrary pairwise potential $V(r_{ij})$ that solely depends on the relative distan...
Article
Full-text available
Although there is a perception in the community that the state of optics research in Colombia has reached a mature state with international recognition, to date, there is no study that supports this view quantitatively. We aimed to assess the state of optics research in Colombia based on international journal publications. Therefore, we determined...
Article
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The application of graph theory in the study of molecular physical and chemical properties involves theoretical mathematical chemistry. Atoms, represented by vertices, and edges, represented by bonds between them, are detailed in simple graphs called chemical graphs. The mathematical derivation of the numerical value of a graph is called the molecu...
Article
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The coma of comet C/2016 R2 (PanSTARRS) is one of the most chemically peculiar ever observed, in particular due to its extremely high CO/H 2 O and N 2 + /H 2 O ratios, and unusual trace volatile abundances. However, the complex shape of its CO emission lines, as well as uncertainties in the coma structure and excitation, has lead to ambiguities in...
Article
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Halide perovskite nanocrystals (NCs) have emerged as a promising material for applications ranging from light‐emitting diodes (LEDs) to solar cells and photodetectors. Still, several issues impede the realization of the NCs’ full potential, most notably their susceptibility to degradation from environmental stress. This work demonstrates highly sta...
Article
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Apart from the energy gap law, control parameters over nonradiative transitions are so far only scarcely regarded. In this work, the impact of both covalence of the lanthanoid–ligand bond and varying bond distance on the magnitude of the intrinsic nonradiative decay rate between the excited 6P5/2 and 6P7/2 spin–orbit levels of Gd3+ is investigated...
Article
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We implement a simple method for fast and precise delivery of ultracold atoms to a microscopic device, i.e. a Fabry–Perot microcavity. By moving a single beam optical dipole trap in a direction perpendicular to the beam axis with an acousto-optical deflector, we transport up to 1 million atoms within 100 ms over 1 cm. Under these conditions, a tran...
Article
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The HD molecule plays an important role in many astrophysical environments. Accurate modelling of the gas cooling induced by HD and its abundance in such media requires a proper modelling of its excitation by both radiative and collisional processes. Reliable state-to-state collisional rate coefficients in extended temperature regimes are then esse...
Preprint
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Contemporary research in atomic and molecular physics involves the use of ultracold atoms that have a temperature in the order of a few nK. The process of laser cooling and trapping of gases of atoms is the first step in the process of approaching such temperatures. We describe the historical development of laser cooling and trapping techniques, in...
Article
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Molecular science is governed by the dynamics of electrons and atomic nuclei, and by their interactions with electromagnetic fields. A faithful physicochemical understanding of these processes is crucial for the design and synthesis of chemicals and materials of value for our society and economy. Although some problems in this field can be adequate...
Article
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The MoBiMet (Mobile Biometeorology System) is a low-cost device for thermal comfort monitoring, designed for long-term deployment in indoor or semi-outdoor occupational contexts. It measures air temperature, humidity, globe temperature, brightness temperature, light intensity, and wind, and is capable of calculating thermal indices (e.g., physiolog...
Article
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In this article, the modified Kratzer plus screened Coulomb potential is scrutinized taking into consideration the effects of magnetic and AB flux fields within the non-relativistic regime using the Nikiforov-Uvarov-Functional Analysis method (NUFA) method. The energy equation and wave function of the system are obtained in close form. We find that...
Preprint
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Predicting odor impression from molecular structure can help develop olfactory product such as perfumes, cosmetics and fragrances. At present, the methods of odor impression prediction can be divided into three categories: based on molecular physical and chemical characteristics, based on electronic nose, and based on mass spectrometry. In these me...
Article
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The CO2 molecule is of great interest for astrophysical studies since it can be found in a large variety of astrophysical media where it interacts with the dominant neutral species such as He, H2 or H2O. The CO2-He collisional system was intensively studied over the last two decades. However, collisional data appear to be very sensitive to the pote...
Article
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Infrared absorption spectroscopy is a widely used tool to quantify and monitor compositions of gases. The concentration information is often retrieved by fitting absorption profiles to the acquired spectra, utilizing spectroscopic databases. In complex gas matrices an expanded parameter space leads to long computation times of the fitting routines...