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Multipole moments are the first order responses of the energy to spatial derivatives of the electric field strength. The quality of density functional theory (DFT) prediction of molecular multipole moments thus characterizes errors in…

Chemical Physics · Physics 2021-02-23 Diptarka Hait , Yu Hsuan Liang , Martin Head-Gordon

A systematic analysis of low-lying quadrupole and octupole collective states is presented, based on the microscopic energy density functional framework. By mapping the deformation constrained self-consistent axially symmetric mean-field…

Nuclear Theory · Physics 2014-02-26 K. Nomura , D. Vretenar , T. Niksic , Bing-Nan Lu

The fluctuation-dissipation mechanism underlying non-equilibrium transport in low-energy heavy-ion reactions remains unclear. Although the time-dependent Hartree-Fock (TDHF) method provides a reasonable description of average reaction…

Nuclear Theory · Physics 2025-07-02 Zepeng Gao , Kazuyuki Sekizawa , Long Zhu

We recently introduced an efficient methodology to perform density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) calculations and an extension to it we called "corrected" HF DFT (C(HF)-DFT). In this work, we take a further…

Chemical Physics · Physics 2023-11-10 Daniel Graf , Alex J. W. Thom

Following a previous paper [Y. Shi, Phys. Rev. C 98, 014329(2018)], we present an extension of the density-functional theory to allow for dynamic calculations based on the obtained static Hartree-Fock results. We perform extensive benchmark…

Nuclear Theory · Physics 2020-11-04 Yue Shi , Nobuo Hinohara , Bastian Schuetrumpf

Locality of compact one-electron orbitals expanded strictly in terms of local subsets of basis functions can be exploited in density functional theory (DFT) to achieve linear growth of computation time with systems size, crucial in…

Computational Physics · Physics 2021-10-01 Yifei Shi , Jessica Karaguesian , Rustam Z. Khaliullin

The low-energy enhancement observed recently in the deexcitation gamma-ray strength functions, suggested to arise due to the magnetic dipole radiation, motivates theoretical efforts to improve the description of M1 strength in available…

Nuclear Theory · Physics 2024-07-29 M. Frosini , W. Ryssens , K. Sieja

We study the oblate-prolate shape mixing in the low-lying states of proton-rich Kr isotopes using the five-dimensional quadrupole collective Hamiltonian. The collective Hamiltonian is derived microscopically by means of the CHFB…

Nuclear Theory · Physics 2011-01-17 Koichi Sato , Nobuo Hinohara

The process of renormalisation in nonperturbative Hamiltonian Effective Field Theory (HEFT) is examined in the $\Delta$-resonance scattering channel. As an extension of effective field theory incorporating the L\"uscher formalism, HEFT…

High Energy Physics - Lattice · Physics 2022-08-31 Curtis D. Abell , Derek B. Leinweber , Anthony W. Thomas , Jia-Jun Wu

We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…

Strongly Correlated Electrons · Physics 2015-07-24 Hiroshi Shinaoka , Matthias Troyer , Philipp Werner

In this work, we present a new version of the Bohr collective Hamiltonian for triaxial nuclei within Deformation-Dependent Mass formalism (DDM) using the Hulth\'en potential. We shall call the developed model Z(5)-HD. Analytical expressions…

Nuclear Theory · Physics 2020-08-05 A. Adahchour , S. Ait El Korchi , A. El Batoul , A. Lahbas , M. Oulne

The effect of coupling between pairing and quadrupole triaxial shape vibrations on the low-energy collective states of $\gamma$-soft nuclei is investigated using a model based on the framework of nuclear energy density functionals (EDFs).…

Nuclear Theory · Physics 2021-08-23 K. Nomura , D. Vretenar , Z. P. Li , J. Xiang

The static path approximation to the path integral representation of partition function provides a natural microscopic basis to deal with thermal fluctuations around mean field configurations. Using this approach for one-dimensional…

Nuclear Theory · Physics 2009-10-22 B. K. Agrawal , A. Ansari

Background: To access selected excited states of nuclei, within the framework of nuclear density functional theory, the quasiparticle random phase approximation (QRPA) is commonly used. Purpose: We present a computationally efficient, fully…

Nuclear Theory · Physics 2015-11-11 M. Kortelainen , N. Hinohara , W. Nazarewicz

The role of dynamical pairing in induced fission dynamics is investigated using the time-dependent generator coordinate method in the Gaussian overlap approximation, based on the microscopic framework of nuclear energy density functionals.…

Nuclear Theory · Physics 2021-10-27 Jie Zhao , Tamara Nikšić , Dario Vretenar

The femtoscopic correlation function has been established in recent years as a high-precision tool for investigating hadron-hadron interactions and exotic states, providing stringent constraints on the dynamics of low-energy strong…

High Energy Physics - Phenomenology · Physics 2026-03-25 Si-Wei Liu , Ju-Jun Xie

Time-dependent density-functional theory (TDDFT) is a central tool for studying the dynamical electronic structure of molecules and solids, yet aspects of its mathematical foundations remain insufficiently understood. In this work, we…

We study the kinetic and chemical equilibration in "infinite" parton matter within the parton-hadron-string dynamics off-shell transport approach, which is based on a dynamical quasiparticle model (DQPM) for partons matched to reproduce…

Nuclear Theory · Physics 2013-02-06 V. Ozvenchuk , O. Linnyk , M. I. Gorenstein , E. L. Bratkovskaya , W. Cassing

Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…

Chemical Physics · Physics 2019-04-19 Abhisek Ghosal , Amlan K. Roy

Classical density functional theory (DFT) provides an exact variational framework for determining the equilibrium properties of inhomogeneous fluids. We report a generalization of DFT to treat the non-equilibrium dynamics of classical…

Soft Condensed Matter · Physics 2013-09-06 Matthias Schmidt , Joseph M. Brader