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We present a new approach to studying nanoparticle collisions using Density Functional based Tight Binding (DFTB). A novel DFTB parameterisation has been developed to study the collision process of Sn and Si nanoparticles (NPs) using…

Mesoscale and Nanoscale Physics · Physics 2023-08-03 Andrés Ruderman , M. B. Oviedo , S. A. Paz , E. P. M. Leiva

The Relativistic Hartree Bogoliubov (RHB) model is applied in the self-consistent mean-field approximation to the description of the neutron halo in the mass region above the s-d shell. Pairing correlations and the coupling to particle…

Nuclear Theory · Physics 2009-02-11 W. Poeschl , D. Vretenar , G. A. Lalazissis , P. Ring

We discuss recent theoretical developments in low-energy heavy-ion reactions. To this end, we put emphasis on a viewpoint of probing nuclear shapes with heavy-ion reactions. We first discuss a single-channel problem with an optical…

Nuclear Theory · Physics 2025-11-14 K. Hagino

We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic…

Strongly Correlated Electrons · Physics 2015-06-22 Mehdi Farzanehpour , I. V. Tokatly

Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. This Feature Article highlights the use of density functional…

Mesoscale and Nanoscale Physics · Physics 2025-06-19 Nikhil S. Chellam , Subhajyoti Chaudhuri , Abhisek Ghosal , Sajal K. Giri , George C. Schatz

Time-Dependent Density Functional Theory is mathematically formulated through non-linear coupled time-dependent 3-dimensional partial differential equations and it is natural to expect a strong sensitivity of its solutions to variations of…

Statistical Mechanics · Physics 2022-04-06 Aurel Bulgac , Ibrahim Abdurrahman , Gabriel Wlazłowski

Recent progresses in the description of the latter stage of nuclear fission are reported. Dynamical effects during the descent of the potential towards scission and in the formation of the fission fragments are studied with the…

Nuclear Theory · Physics 2016-01-21 C. Simenel , G. Scamps , D. Lacroix , A. S. Umar

We examine the manifestation of transient effects in fission by analysing experimental data where fission is induced by peripheral heavy-ion collisions at relativistic energies. Available total nuclear fission cross sections of 238U at 1 A…

Nuclear Experiment · Physics 2009-11-10 B. Jurado , C. Schmitt , K. -H. Schmidt , J. Benlliure , A. R. Junghans

Measurement of the energy dependence of the fusion cross-sec on at sub-barrier energies provides an important test for theoretical models of fusion. To extend the measurement of fusion cross-sections in the sub-barrier domain for the…

We present a new numerical tool designed to probe the dense layers of neutron star crusts. It is based on the time-dependent Hartree-Fock-Bogoliubov theory with generalized Skyrme nuclear energy-density functionals of the Brussels-Montreal…

Nuclear Theory · Physics 2024-12-05 Daniel Pȩcak , Agata Zdanowicz , Nicolas Chamel , Piotr Magierski , Gabriel Wlazłowski

We present a channel-resolved interpretation of laser-driven Coulomb explosion of the HCl dimer from an ensemble of trajectories. Three dominant outcomes are identified: a minor three-body channel and two four-body channels (sequential and…

Chemical Physics · Physics 2026-01-21 Chen Jiang , Cody L. Covington , Kalman Varga

The cranked relativistic Hartree-Bogoliubov (CRHB) theory has been applied for a systematic study of pairing and rotational properties of actinides and light superheavy nuclei. Pairing correlations are taken into account by the Brink-Booker…

Nuclear Theory · Physics 2015-06-16 A. V. Afanasjev , O. Abdurazakov

We study the equilibration and relaxation processes within the time-dependent Hartree-Fock approach using the Wigner distribution function. On the technical side we present a geometrically unrestricted framework which allows us to calculate…

Nuclear Theory · Physics 2012-01-26 N. Loebl , A. S. Umar , J. A. Maruhn , P. -G. Reinhard , P. D. Stevenson , V. E. Oberacker

The multiconfiguration time-dependent Hartree-Fock (MCTDHF) method is formulated for treating the coupled electronic and nuclear dynamics of diatomic molecules without the Born- Oppenheimer approximation. The method treats the full…

Computational Physics · Physics 2015-05-27 Daniel J. Haxton , Keith V. Lawler , C. William McCurdy

We present calculations of bulk properties and multiparticle correlations in a large variety of collision systems within a hybrid formalism consisting of IP-Glasma initial conditions, MUSIC viscous relativistic hydrodynamics, and UrQMD…

Nuclear Theory · Physics 2020-10-21 Bjoern Schenke , Chun Shen , Prithwish Tribedy

We present a time-dependent localized Hartree-Fock density-functional linear response approach for the treatment of photoionization of atomic systems. This approach employs a spin-dependent localized Hartree-Fock (SLHF) exchange potential…

Quantum Physics · Physics 2015-05-13 Zhongyuan Zhou , Shih-I Chu

The theory of heavy ion single charge exchange reactions is reformulated. In momentum space the reaction amplitude factorizes into a product of projectile and target transition form factors, folded with the nucleon-nucleon isovector…

Nuclear Theory · Physics 2018-10-31 Horst Lenske , Jessica I. Bellone , Maria Colonna , Jose-Antonio Lay

We present here the system size dependence of balance energy for semi-central and peripheral collisions using quantum molecular dynamics model. For this study, the reactions of $Ne^{20}+Ne^{20}$, $Ca^{40}+Ca^{40}$, $Ni^{58}+Ni^{58}$,…

Nuclear Theory · Physics 2015-05-18 Rajiv Chugh , Rajeev K. Puri

We propose a framework to learn the time-dependent Hartree-Fock (TDHF) inter-electronic potential of a molecule from its electron density dynamics. Though the entire TDHF Hamiltonian, including the inter-electronic potential, can be…

Chemical Physics · Physics 2024-12-05 Harish S. Bhat , Prachi Gupta , Christine M. Isborn

Guiding by the relativistic local density approximation, we explore a phenomenological formula for the coupling strength of Coulomb field to take into account the Coulomb exchange term effectively in the relativistic Hartree approximation.…

Nuclear Theory · Physics 2013-05-27 Z. M. Niu , Q. Liu , Y. F. Niu , W. H. Long , J. Y. Guo