English
Related papers

Related papers: Realistic interatomic potential for MD simulations

200 papers

A molecular dynamics (MD) simulation is used to quantitatively analyze the induced membrane potential for an applied external field varied between 0.4 V/nm to 2.0 V/nm. The change in the electrostatic potential in the DPPC is directly…

Biological Physics · Physics 2023-11-02 Shadeeb Hossain

The recent works by the present authors predicted that the real part of heavy-ion optical potentials changes its character from attraction to repulsion around the incident energy per nucleon E/A = 200 - 300 MeV on the basis of the complex…

Nuclear Theory · Physics 2011-01-20 T. Furumoto , Y. Sakuragi , Y. Yamamoto

Calculations are made of the $K^{+}+^{12}$C, $^{40}$Ca differential elastic scattering cross sections at the beam momenta 0.635, 0.715, and 0.8 GeV/c. To this end the microscopic optical potential derived in the high-energy approximation…

Nuclear Theory · Physics 2009-01-16 V. K. Lukyanov , E. V. Zemlyanaya , K. V. Lukyanov , K. M. Hanna

A study of the interaction of loosely bound nuclei 6,7Li at 9 and 19 AMeV with light targets has been undertaken. With the determination of unambiguous optical potentials in mind, elastic data for four projectile-target combinations and one…

Nuclear Experiment · Physics 2009-11-10 F. Carstoiu , L. Trache , R. E. Tribble , C. A. Gagliardi

Recently, we developed a method to construct polynomial interatomic potentials from ab-initio calculations in order to accurately describe laser excited solids [PRL 124, 085501 (2020)]. However, ab-initio methods, and therefore analytical…

Materials Science · Physics 2021-10-07 Bernd Bauerhenne , Martin E. Garcia

The embedded atom method (EAM) potentials are probably the most widely used interatomic potentials for metals and alloys. However, the EAM potentials impose three constraints on elastic constants that are inconsistent with experiments. At a…

Materials Science · Physics 2015-06-11 L. G. Zhou , Hanchen Huang

The differential cross section for radiative capture of protons by deuterons is calculated using different realistic NN interactions. We compare our results with the available experimental data below $E_x = 20 MeV$. Excellent agreement is…

Nuclear Theory · Physics 2009-10-31 W. Schadow , W. Sandhas

Using the optimized effective potential method in conjunction with the semi-analytical approximation due to Krieger, Li and Iafrate, we have performed fully self-consistent exact exchange-only density-functional calculations for diatomic…

chem-ph · Physics 2008-02-03 T. Grabo , E. K. U. Gross

Energies of np (n=6-9), ns (n=7-9), nd (n=6-8), and nf (n=5-6) states in Tl I and Pb II are obtained using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are…

Atomic Physics · Physics 2009-11-10 U. I. Safronova , M. S. Safronova , W. R. Johnson

The viscosity and thermal conductivity of binary, ternary and quaternary mixtures of helium, neon, argon, and krypton at low density are computed for wide ranges of temperature and molar fractions, applying the Chapman-Enskog method. Ab…

Computational Physics · Physics 2020-07-24 Felix Sharipov , Victor J. Benites

The formalism of two coupled Dirac equations within constraint instant form dynamics is used to study the nucleon-nucleon interaction. The salient features and the final Schroedinger type equation is given. Explicitly energy dependent…

Nuclear Theory · Physics 2007-05-23 H. V. von Geramb , B. Davaadorj , St. Wirsching

A potential between mesons is extracted from 4-point functions within lattice gauge theory taking 2+1 dimensional QED as an example. This theory possesses confinement and dynamical fermions. The resulting meson-meson potential has a…

High Energy Physics - Lattice · Physics 2009-10-28 H. R. Fiebig , O. Linsuain , H. Markum , K. Rabitsch

We construct a folding potential between the $\alpha$ and $\Lambda$ particles based on underlying nucleon-nucleon and hyperon-nucleon interactions. Starting from a phenomenological $\Lambda$-N potential and a Gaussian form of the…

Nuclear Theory · Physics 2022-08-09 Htun Htun Oo , Hiroyuki Kamada

A new method for the determination of the real part of the elastic scattering amplitude is examined for high energy proton-proton and proton-nuclei elastic scattering at small momentum transfer. This method allows to decrease the number of…

High Energy Physics - Phenomenology · Physics 2007-05-23 B. Nicolescu , O. V. Selyugin

Recent optical-potential studies of the phenomenology of kaonic atoms are reviewed. It is shown that the data can be fitted by a complex optical potential with either a relatively shallow attractive component (about -50 MeV at…

Nuclear Theory · Physics 2009-11-07 Avraham Gal

We investigate the short distance behavior of nucleon-nucleon (NN) potentials defined through Bethe-Salpeter wave functions, by perturbatively calculating anomalous dimensions of 6-quark operators in QCD. Thanks to the asymptotic freedom of…

High Energy Physics - Lattice · Physics 2015-05-18 Sinya Aoki , Janos Balog , Peter Weisz

The spectral function of the closed-shell Neon atom is computed by expanding the electron self-energy through a set of Faddeev equations. This method describes the coupling of single-particle degrees of freedom with correlated two-electron,…

Chemical Physics · Physics 2009-11-13 C. Barbieri , D. Van Neck , W. H. Dickhoff

It is demonstrated that the elastic diffractive scattering of nucleons at collision energies higher than 540 GeV and transferred momenta lower than 2 GeV, including the Coulomb-nuclear interference region, can be described in the framework…

High Energy Physics - Phenomenology · Physics 2021-01-05 A. A. Godizov

Calculating microscopic optical potentials for elastic nucleon-nucleus scattering has already led to large body of work in the past. For folding first-order calculations the nucleon-nucleon (NN) interaction and the one-body density of the…

Nuclear Theory · Physics 2019-04-24 M. Burrows , Ch. Elster , S. P. Weppner , K. D. Launey , P. Maris , A. Nogga , G. Popa

We study certain physical observables of isoscalar heavy baryons using potential models based on hadronic degrees of freedom. The goal is to compare these results with those from an effective theory obtained in a combined heavy quark and…

Nuclear Theory · Physics 2016-09-08 Z. Aziza Baccouche , Thomas D. Cohen