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We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…

Chemical Physics · Physics 2019-11-27 Michael Eickenberg , Georgios Exarchakis , Matthew Hirn , Stéphane Mallat , Louis Thiry

Obtaining general relations between macroscopic properties of random assemblies, such as density, and the microscopic properties of their constituent particles, such as shape, is a foundational challenge in the study of amorphous materials.…

Soft Condensed Matter · Physics 2016-05-05 Yoav Kallus

In this article: a) a method is developed for calculating volumetric diagrams of elastic scattering of microparticles (in particular, electrons and photons) on single-layer and multi-layer statistically uneven surfaces; b) the diffraction…

General Physics · Physics 2021-04-06 Mikhail Batanov-Gaukhman

Molecular rotation spectra, generated by the coupling of the molecular electric-dipole moments to an external time-dependent electric field, are discussed in a few particular conditions which can be of some experimental interest. First, the…

Other Condensed Matter · Physics 2015-12-15 M. Apostol , L. C. Cune

We revisit the total scatterings (in terms of extinction, scattering and absorption cross sections) by arbitrary clusters of nonmagnetic particles that support optically-induced magnetic responses. Our reexamination is conducted from the…

Optics · Physics 2020-09-23 Qingdong Yang , Weijin Chen , Yuntian Chen , Wei Liu

QED radiative corrections to elastic electron-proton scattering at low energies are discussed. Corrections to the electron line and effects due to vacuum polarization are computed. Higher order effects are estimated for the conditions of…

High Energy Physics - Phenomenology · Physics 2017-08-11 A. B. Arbuzov , T. V. Kopylova

In view of promising applications of fractal nanostructures, we analyze the spectra of quantum particles in the Sierpinski carpet and study the non-correlated electron gas in this geometry. We show that the spectrum exhibits scale…

Mesoscale and Nanoscale Physics · Physics 2015-03-27 Alberto Hernando , Miroslav Sulc , Jiri Vanicek

The elastic scattering of spinless vortex electrons on realistic target atoms has been investigated. In particular, expressions are derived in different approximations for the elastic angular-differential cross sections. We develop a…

Atomic Physics · Physics 2024-11-25 A. L. Harris , S. Fritzsche

Of particular interest for radio and hard X-ray diagnostics of accelerated electrons during solar flares is the understanding of the basic non-linear mechanisms regulating the relaxation of electron beams propagating in turbulent plasmas.…

Space Physics · Physics 2015-03-06 Nicolas H. Bian , Eduard P. Kontar , Heather Ratcliffe

We investigate the radiation from an inertial scalar particle evolving in a de Sitter expanding Universe. In the context of scalar QED the process is generated by the first order term in the perturbation theory expansion of the S-matrix.…

High Energy Physics - Theory · Physics 2015-03-26 Robert Blaga

Inspired by the problem of elastic wave scattering on wrinkled interfaces, we studied the scattering of ballistic electrons on a wrinkled potential energy region. The electron transmission coefficient depends on both wrinkle amplitude and…

Mesoscale and Nanoscale Physics · Physics 2016-04-20 T. L. Mitran , G. A. Nemnes , L. Ion , Daniela Dragoman

We study different models of radiating slowly rotating bodies up to the first order in the angular velocity. It is shown that up to this order the evolution of the eccentricity is highly model-dependent even for very compact objects.

General Relativity and Quantum Cosmology · Physics 2011-07-19 L. Herrera , H. Hernandez , L. A. Nunez , U. Percoco

The rotation vibration spectra of small molecules can be described mathematically completely. Unfortunately, no vivid interpretation of the observed transitions exists. A qualitative interpretation attempt is undertaken for symmetric top…

Physics Education · Physics 2007-05-23 Petra Schulz

An investigation on stochastic deflection of high-energy negatively charged particles in a bent crystal was carried out. On the basis of analytical calculation and numerical simulation it was shown that it exists a maximum angle at which…

Accelerator Physics · Physics 2017-03-08 I. V. Kirillin , N. F. Shul'ga , L. Bandiera , V. Guidi , A. Mazzolari

We study fluctuating tilt Brownian ratchets based on fractional subdiffusion in sticky viscoelastic media characterized by a power law memory kernel. Unlike the normal diffusion case the rectification effect vanishes in the adiabatically…

Statistical Mechanics · Physics 2012-06-04 Igor Goychuk , Vasyl Kharchenko

The elastic response of the crystalline sheet to the stretching deformation in the form of wrinkles has been extensively investigated. In this work, we extend this fundamental scientific question to the plastic regime by exploring the…

Soft Condensed Matter · Physics 2025-06-09 Ranzhi Sun , Zhenwei Yao

The dielectric dispersion, dielectrophoretic (DEP) and electrorotational (ER) spectra of spheroidal biological cell suspensions with an intrinsic dispersion in the constituent dielectric constants are investigated. By means of the spectral…

Soft Condensed Matter · Physics 2007-05-23 Lei Gao , J. P. Huang , K. W. Yu

The Sudden Approximation is applied to invert structural data on randomly corrugated surfaces from inert atom scattering intensities. Several expressions relating experimental observables to surface statistical features are derived. The…

Materials Science · Physics 2016-08-31 Daniel A. Lidar

A formulation of the asymptotically exact first-order shear deformation theory for linear-elastic homogeneous plates in the rescaled coordinates and rotation angles is considered. This allows the development of its asymptotically accurate…

Numerical Analysis · Mathematics 2024-04-17 Khanh Chau Le , Hoang Giang Bui

Circular dichroism spectroscopy is an essential technique for understanding molecular structure and magnetic materials, but spatial resolution is limited by the wavelength of light, and sensitivity sufficient for single-molecule…

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