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We describe and test an implicit solvent all-atom potential for simulations of protein folding and aggregation. The potential is developed through studies of structural and thermodynamic properties of 17 peptides with diverse secondary…

Biomolecules · Quantitative Biology 2009-04-09 Anders Irbäck , Simon Mitternacht , Sandipan Mohanty

Within the framework of the Faddeev equations in configuration space, we examine the $\Omega^{-} np$ system, employing strongly attractive lattice HAL QCD and Yukawa-type meson exchange potentials for the $\Omega N$ interaction. Our…

Nuclear Theory · Physics 2026-05-12 I. Filikhin , R. Ya. Kezerashvili , B. Vlahovic

In this study, we extend the HAL QCD method to a case where a total momentum of a two-particle system is non-zero and apply it to the $I=2$ S-wave $\pi\pi$ scattering in order to confirm its validity. We derive a fundamental relation of an…

High Energy Physics - Lattice · Physics 2023-01-18 Yutaro Akahoshi , Sinya Aoki

Shell corrections of the finite deformed Woods-Saxon potential are calculated using the Green's function method and the generalized Strutinsky smoothing procedure. They are compared with the results of the standard prescription which are…

Nuclear Theory · Physics 2009-11-06 T. Vertse , A. T. Kruppa , W. Nazarewicz

Background: An accurate way to incorporate long range Coulomb interaction alongside short-range nuclear interaction has been a challenge for theoretical physicists. Purpose: In this paper, we propose a methodology based on the reference…

Nuclear Theory · Physics 2023-08-23 O. S. K. S. Sastri , Arushi Sharma , Ayushi Awasthi

Masses of superheavy (SH) nuclei with $Z=98-128$, including odd and odd-odd nuclei, are systematically calculated within the microscopic-macroscopic model based on the deformed Woods-Saxon potential. Ground states are found by minimizing…

Nuclear Theory · Physics 2015-06-18 P. Jachimowicz , M. Kowal , J. Skalski

The spin-dependent localized Hartree-Fock (SLHF) density-functional approach is extended to the treatment of the inner-shell excited-state calculation of open-shell atomic systems. In this approach, the electron spin-orbitals in an…

Atomic Physics · Physics 2009-11-13 Zhongyuan Zhou , Shih-I Chu

We describe electromagnetic and favored \alpha-transitions to rotational bands in odd-mass nuclei built upon a single particle state with angular momentum projection $\Omega=\frac{1}{2}$ in the region $88 \le Z \le 98$. We use the particle…

Nuclear Theory · Physics 2016-03-23 A. Dumitrescu , D. S. Delion

In this thesis, our main focus is on the $HHH$ and $VVHH$ couplings which are loosely bound. The $HHH$ coupling will determine the shape the Higgs potential and $VVHH$ couplings will tell us how the gauge bosons are coupled to the Higgs…

High Energy Physics - Phenomenology · Physics 2024-09-04 Biswajit Das

The binding energies of deformed even-even nuclei have been analysed within the framework of a recently proposed microscopic-macroscopic model. We have used the semiclassical Wigner - Kirkwood $\hbar$ expansion up to fourth - order, instead…

Nuclear Theory · Physics 2015-06-05 A. Bhagwat , X. Viñas , M. Centelles , P. Schuck , R. Wyss

We take an additional step towards the optimization of the novel finite-range pseudopotential at constrained Hartree-Fock-Bogolyubov level and implement an optimization procedure within an axial code using harmonic oscillator basis. We…

Nuclear Theory · Physics 2020-09-03 T. Haverinen , M. Kortelainen , J. Dobaczewski , K. Bennaceur

The influence of $\Delta$ isobar components on the ground state properties of nuclear systems is investigated for nuclear matter as well as finite nuclei. Many-body wave functions, including isobar configurations, and binding energies are…

Nuclear Theory · Physics 2009-11-07 T. Frick , S. Kaiser , H. Müther , A. Polls , D. R. Entem , R. Machleidt

We review an extension of Migdal's Theory of Finite Fermi Systems which has been developed and applied to collective vibrations in closed shell nuclei in the past ten years. This microscopic approach is based on a consistent use of the…

Nuclear Theory · Physics 2015-06-26 S. Kamerdzhiev , J. Speth , G. Tertychny

The recently developed effective interaction method for the hyperspherical harmonic formalism is extended to noncentral forces. Binding energies and radii of three- and four-body nuclei are calculated with AV6 and AV14 NN potentials.…

Nuclear Theory · Physics 2009-11-07 Nir Barnea , Winfried Leidemann , Giuseppina Orlandini

We study the binding energies of spin-isospin saturated nuclei with nucleon number $8 \le A \le 100$ in semiclassical Monte Carlo many-body simulations. The model Hamiltonian consists of, (i) nucleon kinetic energy, (ii) a nucleon-nucleon…

Nuclear Theory · Physics 2008-11-26 M. Angeles Perez-Garcia , K. Tsushima , A. Valcarce

In this paper, we have made a comparative study of alpha-alpha scattering using different phenomenological models like Morse, double Gaussian, double Hulthen, Malfliet-Tjon and double exponential for the nuclear interaction and atomic…

Nuclear Theory · Physics 2023-07-26 Ayushi Awasthi , O. S. K. S. Sastri

Sequences of experimental ground-state energies are mapped onto concave patterns cured from convexities due to pairing and/or shell effects. The same patterns, completed by a list of excitation energies, can be used to give numerical…

Nuclear Theory · Physics 2007-08-23 B. K. Jennings , B. R. Barrett , B. G. Giraud

The energy spectrum of the $^{12}C$ nucleus with $(J^{\pi}, T)=(0^+,0)$ and $(2^+,0)$ is investigated in the framework of the multicluster dynamical model by using a deep $\alpha \alpha$-potential with forbidden states in the S and D waves.…

Nuclear Theory · Physics 2008-11-26 E. M. Tursunov

A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…

Condensed Matter · Physics 2016-08-14 K. Stokbro , N. Chetty , K. W. Jacobsen , J. K. Nørskov

We present three-body nonrelativistic calculations within the framework of a potential model for the kaonic cluster ${K^-}pp$ using two completely different methods: the method of hyperspherical harmonics in the momentum representation and…

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