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Advantageous numerical methods for solving the Dirac equations are derived. They are based on different stochastic optimization techniques, namely the Genetic algorithms, the Particle Swarm Optimization and the Simulated Annealing method,…

Computational Physics · Physics 2019-02-20 Ioannis G. Tsoulos , O. T. Kosmas , V. N. Stavrou

The time-dependent restricted-active-space self-consistent-field singles (TD-RASSCF-S) method is presented for investigating TD many-electron dynamics in atoms and molecules. Adopting the SCF notion from the muticonfigurational TD…

Atomic Physics · Physics 2014-05-22 Haruhide Miyagi , Lars Bojer Madsen

The emergence of collective behaviors and the existence of large amplitude motions are both central features in the fields of nuclear structure and reactions. From a theoretical point of view, describing such phenomena requires increasing…

Nuclear Theory · Physics 2020-06-03 Marc Verriere , David Regnier

Nuclear-spin-dependent (NSD) parity violating effects are studied for a number of diatomic molecules using relativistic Hartree-Fock and density functional theory and accounting for core polarization effects. Heavy diatomic molecules are…

Atomic Physics · Physics 2015-06-16 A. Borschevsky , M. M. Iliaš , V. A. Dzuba , V. V. Flambaum , P. Schwerdtfeger

The Born-Oppenheimer (BO) approximation is less accurate in the presence of a strong magnetic field than in the absence of a field. This is due to the complicated and unpredictable response of electronic structure to the field, especially…

Chemical Physics · Physics 2023-03-29 Tanner Culpitt , Laurens D. M. Peters , Erik I. Tellgren , Trygve Helgaker

We present a very brief description of the Hartree-Fock method in nuclear structure physics, discuss the numerical methods used to solve the self-consistent equations, and analyze the precision and convergence properties of solutions. As an…

Nuclear Theory · Physics 2007-05-23 J. Dobaczewski

This work introduces a novel approach to the nuclear deformation factor $R_{\text{AA}}$, grounded in the dynamical effects of the Quark-Gluon Plasma on parton momentum. The approach uses the Blast-Wave method combined with Tsallis…

High Energy Physics - Phenomenology · Physics 2025-12-03 R. Baptista , L. Q. Rocha , J. M. C. Pareja , T. Bhattacharyya , A. Deppman , E. Megias , M. Rybczynski , G. Wilk , Z. Wlodarczyk

In this work, the Davydov-Chaban Hamiltonian, describing the collective motion of $\gamma$-rigid atomic nuclei, is amended by allowing the mass parameter to depend on the nuclear deformation. Further, Z(4)-DDM (Deformation-Dependent Mass)…

Nuclear Theory · Physics 2021-11-04 S. Ait El Korchi , S. Baid , P. Buganu , M. Chabab , A. El Batoul , A. Lahbas , M. Oulne

When the time dependent Hartree-Fock-Bogoliubov intrinsic equations of motion are solved in the case of seniority one nuclear systems, the unpaired nucleon remains on the same orbital. The blocking effect hinders the possibility to skip…

Nuclear Theory · Physics 2008-11-26 M. Mirea

The strength functions of quadrupole modes in the unstable oxygen isotopes 22O and 24O are calculated using an extended version of the time-dependent Hartree-Fock theory known as the time-dependent density-matrix theory (TDDM). It is found…

Nuclear Theory · Physics 2009-11-07 M. Tohyama , A. S. Umar

An atomic-orbital basis set framework is presented for carrying out velocity- gauge real-time time-dependent density functional theory (TDDFT) simulations in periodic systems employing range-separated hybrid functionals. Linear optical…

Materials Science · Physics 2018-10-02 C. D. Pemmaraju

The scattering of neutral particles by an atomic nucleus can lead to electronic ionisation and excitation through a process known as the Migdal effect. We revisit and improve upon previous calculations of the Migdal effect, using the…

High Energy Physics - Phenomenology · Physics 2023-03-01 Peter Cox , Matthew J. Dolan , Christopher McCabe , Harry M. Quiney

We propose a time-adaptive predictor/multi-corrector method to solve hyperbolic partial differential equations, based on the generalized-$\alpha$ scheme that provides user-control on the numerical dissipation and second-order accuracy in…

Numerical Analysis · Mathematics 2022-10-11 Nicolas A. Labanda , Pouria Behnoudfar , Victor M. Calo

Despite its widespread use in materials science, conventional molecular dynamics (MD) simulations are severely constrained by timescale limitations. To address this shortcoming, we propose an empirical formulation of accelerated MD method,…

Materials Science · Physics 2025-12-10 Liang Wan , Qingsong Mei , Haowen Liu , Huafeng Zhang , Jun-Ping Du , Shigenobu Ogata , Wen Tong Geng

In the realm of complexity, it is argued that adequate modeling of TeV-physics demands an approach based on fractal operators and fractional calculus (FC). Non-local theories and memory effects are connected to complexity and the FC. The…

High Energy Physics - Theory · Physics 2013-06-25 Cresus F. L. Godinho , J. Weberszpil , J. A. Helayël-Neto

Starting from the adiabatic time-dependent Hartree-Fock approximation (ATDHF), we propose an efficient method to calculate the Thouless-Valatin moments of inertia for the nuclear system. The method is based on the rapid convergence of the…

Nuclear Theory · Physics 2012-09-28 Z. P. Li , T. Niksic , P. Ring , D. Vretenar , J. M. Yao , J. Meng

We study slow collective motion of isoscalar type at finite excitation. The collective variable is parameterized as a shape degree of freedom and the mean field is approximated by a deformed shell model potential. We concentrate on…

Nuclear Theory · Physics 2009-10-28 Helmut Hofmann , Fedor A. Ivanyuk , Shuhei Yamaji

In this study, we present the numerical investigation of the Dirichlet-Neumann Waveform Relaxation (DNWR) algorithm applied to multiple subdomains for the reaction-diffusion equation with time delay. Various arrangements of transmission…

Numerical Analysis · Mathematics 2026-02-16 Bankim C. Mandal , Deeksha Tomer

In this work, we present analytical solution of Schr\"odinger equation of confined pseudoharmonic potential in presence of a moving boundary condition, for an arbitrary angular momentum state. It turns out that an important quantity to…

Quantum Physics · Physics 2025-06-27 Akash Halder , Amlan K. Roy , Debraj Nath

We propose a systematic approach to the basis set extension for nonadiabatic dynamics of entangled combination of nuclear coherent states (CSs) evolving according to the time-dependent variational principle (TDVP). TDVP provides a rigorous…

Chemical Physics · Physics 2017-03-14 Artur F. Izmaylov , Loïc Joubert-Doriol
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