Related papers: NMscatt: a program for calculating inelastic scatt…
Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets…
R-function theory of Thomas used in study of inelastic scattering of neutrons to a definite state. Onset of fluctuations, effects of randomness of phases of interfering amplitudes, and variations in statistical distributions of neutron…
Significant effort has been devoted to searching for new fundamental forces of nature. At short length scales (below approximately 10 nm), the strongest experimental constraints come from neutron scattering from individual nuclei in gases.…
We develop here a simple yet versatile model for nuclear fragmentation in heavy ion collisions. The model allows us to calculate thermodynamic properties such as phase transitions as well as the distribution of fragments at disassembly. In…
The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…
The problem of electron-proton scattering is handed over both the elastic and inelastic scattering. Two models are presented in this sense. The first, depends on the multi photon exchange ladder diagram, where the transition matrix is…
Nonlinear normal modes (NNMs) are widely used as a tool for developing mathematical models of nonlinear structures and understanding their dynamics. NNMs can be identified experimentally through a phase quadrature condition between the…
We investigate a simplified version of the ACOT prescription for calculating deeply inelastic scattering from Q^2 values near the squared mass M_H^2 of a heavy quark to Q^2 much larger than M_H^2.
A brief review of the SIESTA project is presented in the context of linear-scaling density-functional methods for electronic-structure calculations and molecular-dynamics simulations of systems with a large number of atoms. Applications of…
Undisputedly, derivation of theoretical systematic uncertainties is an inseparable ingredient of any robust analysis dealing with experimental data. However, it is not uncommon, even for those analyses that use state of the art methods and…
Deep inelastic electron-proton scattering is analyzed in the target rest frame using a theoretical approach suitable to describe many-body systems of {\em bound} constituents subject to {\em interactions}. At large three-momentum transfer…
MOLSCAT is a general-purpose package for performing non-reactive quantum scattering calculations for atomic and molecular collisions using coupled-channel methods. Simple atom-molecule and molecule-molecule collision types are coded…
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…
We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…
We demonstrate that the use of on-shell methods, involving calculation of the discontinuity across the t-channel cut associated with the exchange of a pair of massless particles, can be used to evaluate loop contributions to both the…
NLOX is a computer program for calculations in high-energy particle physics. It provides fully renormalized scattering matrix elements in the Standard Model of particle physics, up to one-loop accuracy for all possible coupling-power…
The paper presents a theoretical approach to the description of the relativistic scattering of a massive (neutral) lepton on a nucleus, in which the latter retains its integrity. The measurable cross section of this process includes the…
Transient absorption and Raman scattering measurements on noble metal nanoparticles offer complimentary information on their vibrational modes and mechanical interactions with their surroundings. We have developed a comprehensive modeling…
Shell model wave functions have been used to form microscopic g-folding optical potentials with which elastic scattering data from 8He, 10,11C, and 18,20,22O scattering on hydrogen has been analyzed. Those potentials, the effective…
In a statistical analysis in Particle Physics, nuisance parameters can be introduced to take into account various types of systematic uncertainties. The best estimate of such a parameter is often modeled as a Gaussian distributed variable…