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Nucleation is very common physical phenomena that occur at the microscopic scale. However, due to the presence of nucleation barriers, the time scale of nucleation is usually much longer than that of microscopic particle dynamics. These…

Chemical Physics · Physics 2023-08-08 Zihao Bai

Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under external time-dependent perturbations such as laser fields. In this work, we present a machine learning approach to accelerate…

Materials Science · Physics 2025-12-02 Karan Shah , Attila Cangi

Surface growth, i.e., the addition or removal of mass from the boundary of a solid body, occurs in a wide range of processes, including the growth of biological tissues, solidification and melting, and additive manufacturing. To understand…

Analysis of PDEs · Mathematics 2025-02-25 S. Kiana Naghibzadeh , Anthony Rollett , Noel Walkington , Kaushik Dayal

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we…

Computational Physics · Physics 2015-12-23 Swarnava Ghosh , Phanish Suryanarayana

We developed new parameterizations of local regularized finite-range pseudopotentials up to next-to-next-to-next-to-leading order (N3LO), used as generators of nuclear density functionals. When supplemented with zero-range spin-orbit and…

Nuclear Theory · Physics 2020-12-15 K. Bennaceur , J. Dobaczewski , T. Haverinen , M. Kortelainen

We study the spin-parity distribution P(J$^{\pi}$,E) of $^{156}$Gd excited states above the neutron separation energy $S_{n}=8.536$ MeV \cite{156Gd_list_of_levels} that are expected to be populated via the 1-step neutron pickup reaction…

Nuclear Theory · Physics 2017-12-27 V. G. Gueorguiev , J. E. Escher

Quantum simulators offer great potential for investigating dynamical properties of quantum field theories. However, preparing accurate non-trivial initial states for these simulations is challenging. Classical Euclidean-time Monte-Carlo…

Quantum Physics · Physics 2025-06-04 Navya Gupta , Christopher David White , Zohreh Davoudi

Binary neutron stars in circular orbits can be modeled as helically symmetric, i.e., stationary in a rotating frame. This symmetry gives rise to a first integral of the Euler equation, often employed for constructing equilibrium solutions…

General Relativity and Quantum Cosmology · Physics 2014-10-31 Niclas Moldenhauer , Charalampos M. Markakis , Nathan K. Johnson-McDaniel , Wolfgang Tichy , Bernd Bruegmann

We study the $(1+1)$-dimensional Dirac oscillator within a class of doubly special relativity (DSR) models generated by linear-fractional (projective) transformations on momentum space that preserve both the invariant speed of light and a…

High Energy Physics - Theory · Physics 2026-02-11 N. Jafari , A. Boumali

Building upon the worldline effective field theory (EFT) formalism for spinning bodies developed for the Post-Newtonian regime, we generalize the EFT approach to Post-Minkowskian (PM) dynamics to include rotational degrees of freedom in a…

High Energy Physics - Theory · Physics 2022-05-30 Zhengwen Liu , Rafael A. Porto , Zixin Yang

While density functional theory (DFT) is widely applied for its combination of cost and accuracy, corrections (e.g., DFT+U) that improve it are often needed to tackle correlated transition-metal chemistry. In principle, the functional form…

Chemical Physics · Physics 2021-03-12 Akash Bajaj , Heather J. Kulik

We propose an iterative algorithm to simulate the dynamics generated by any $n$-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator $U$ (unitary) into a product of different time-step unitaries. The…

Quantum Physics · Physics 2012-04-09 Ashok Ajoy , Rama Koteswara Rao , Anil Kumar , Pranaw Rungta

Within the nuclear DFT framework, employing the Skyrme UNEDF1 functional and incorporating pairing correlations, we determined the spectroscopic electric quadrupole and magnetic dipole moments of the $\nu11/2^{-}$ and $\pi7/2^{+}$…

We have developed an efficient method for quantum number projection from most general HFB type mean-field states, where all the symmetries like axial symmetry, number conservation, parity and time-reversal invariance are broken. Applying…

Nuclear Theory · Physics 2013-01-16 S. Tagami , Y. R. Shimizu , J. Dudek

The paper introduces a geometrically unfitted finite element method for the numerical solution of the tangential Navier--Stokes equations posed on a passively evolving smooth closed surface embedded in $\mathbb{R}^3$. The discrete…

Numerical Analysis · Mathematics 2023-10-16 Maxim A. Olshanskii , Arnold Reusken , Paul Schwering

The conditions of optimum orientations (lowest barrier and largest interaction radius) for deformed colliding nuclei are introduced in "cold" fusion of superheavy nuclei. Also, the role of (octupole and) hexadecupole deformations is…

Nuclear Theory · Physics 2007-05-23 Raj K. Gupta , M. Balasubramaniam , Rajesh Kumar , Narinder Singh

Detailed quantitative predictions are obtained for phonon and multiphonon excitations in well-deformed rotor nuclei within the geometric framework, by exact numerical diagonalization of the Bohr Hamiltonian in an SO(5) basis. Dynamical…

Nuclear Theory · Physics 2011-07-04 M. A. Caprio

Momentum space three-body Faddeev-like equations are used to calculate elastic, transfer and charge exchange reactions resulting from the scattering of deuterons on 12C and 16O or protons on 13C and 17O; 12C and 16O are treated as inert…

Nuclear Theory · Physics 2009-01-21 A. Deltuva , A. C. Fonseca

We report an investigation of the structure of $^{12}$C nucleus employing a newly developed configuration-mixing method. In the three-dimensional coordinate-space representation, we generate a number of Slater determinants with various…

Nuclear Theory · Physics 2013-08-09 Y. Fukuoka , S. Shinohara , Y. Funaki , T. Nakatsukasa , K. Yabana

We extend the ab initio coupled-cluster effective interaction (CCEI) method to deformed open-shell nuclei with protons and neutrons in the valence space, and compute binding energies and excited states of isotopes of neon and magnesium. We…

Nuclear Theory · Physics 2016-07-25 G. R. Jansen , M. D. Schuster , A. Signoracci , G. Hagen , P. Navrátil