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A separable form of the Gogny pairing force is implemented in tilted axis cranking covariant density functional theory for the description of rotational bands in open shell nuclei. The developed method is used to investigate the yrast…

Nuclear Theory · Physics 2017-12-13 Yakun Wang

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For…

Nuclear Theory · Physics 2025-09-30 Brendan T. Reed , Matthias Heinz , Pierre Arthuis , Achim Schwenk , Ingo Tews

Classical density functional theory (DFT) is a statistical mechanical theory for calculating the density profiles of the molecules in a liquid. It is widely used, for example. to calculate the density distribution of the molecules in the…

Statistical Mechanics · Physics 2015-07-08 Adam P. Hughes , Uwe Thiele , Andrew J. Archer

Classical density functional theory (cDFT) provides a systematic approach to predict the structure and thermodynamic properties of chemical systems through the single-molecule density profiles. Whereas the statistical-mechanical framework…

Chemical Physics · Physics 2024-11-07 Jinni Yang , Runtong Pan , Jikai Sun , Jianzhong Wu

In contrast to the original Kohn-Sham (KS) formalism, we propose a density functional theory (DFT) with fractional orbital occupations for the study of ground states of many-electron systems, wherein strong static correlation is shown to be…

Chemical Physics · Physics 2015-06-03 Jeng-Da Chai

Well-known examples of shears bands in the nuclei 198Pb and 199Pb are investigated within tilted axis cranking relativistic mean-field theory. Energy spectra, the relation between spin and rotational frequency, deformation parameters and…

Nuclear Theory · Physics 2012-05-08 L. F. Yu , P. W. Zhao , S. Q. Zhang , P. Ring , J. Meng

Nuclear structure models built from phenomenological mean fields, the effective nucleon-nucleon interactions (or Lagrangians), and the realistic bare nucleon-nucleon interactions are reviewed. The success of covariant density functional…

Nuclear Theory · Physics 2019-10-14 Shihang Shen , Haozhao Liang , Wen Hui Long , Jie Meng , Peter Ring

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

Computational Engineering, Finance, and Science · Computer Science 2017-02-07 Andreas Nold , Benjamin D. Goddard , Peter Yatsyshin , Nikos Savva , Serafim Kalliadasis

A two-dimensional collective Hamiltonian (2DCH) on both azimuth and polar motions in triaxial nuclei is proposed to investigate the chiral and wobbling modes. In the 2DCH, the collective potential and the mass parameters are determined from…

Nuclear Theory · Physics 2016-10-05 Q. B. Chen , S. Q. Zhang , P. W. Zhao , R. V. Jolos , J. Meng

A fundamental assumption of the dynamical density functional theory (DDFT) of colloidal systems is that a grand-canonical free energy functional may be employed to generate the thermodynamic driving forces. Using one-dimensional hard-rods…

Soft Condensed Matter · Physics 2013-06-04 Johannes Reinhardt , Joseph Michael Brader

We present a theoretical framework to quantify statistical uncertainties in covariant density functional theory (CDFT) for both nuclear matter and finite nuclei, based on a relativistic point-coupling energy density functional (EDF). By…

Nuclear Theory · Physics 2026-04-10 X. Zhang , C. C. Wang , C. R. Ding , J. M. Yao

The current generation of covariant mean-field models has had many successes in calculations of bulk observables for medium to heavy nuclei, but there remain many open questions. New challenges are confronted when trying to systematically…

Nuclear Theory · Physics 2017-01-25 R. J. Furnstahl

Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. However, application of density-functional theory to multi-site…

Computational Physics · Physics 2014-02-14 Ravishankar Sundararaman , T. A. Arias

Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…

Physics Education · Physics 2010-12-07 Nathan Argaman , Guy Makov

Chiral fluctuations in triangular antiferromagnets (TAFs) at $T \ll T_N$ are studied theoretically. The case of a ferromagnetic interaction along c axis (which is directed perpendicular to the plane of the lattice), Dzyaloshinskii-Moriya…

Strongly Correlated Electrons · Physics 2007-05-23 A. V. Syromyatnikov

A stochastic approach to time-dependent density functional theory (TDDFT) is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves…

Chemical Physics · Physics 2016-11-04 Yi Gao , Daniel Neuhauser , Roi Baer , Eran Rabani

Multireference density functional theory (MR-DFT) has been a pivotal method for studying nuclear low-lying states and neutrinoless double-beta ($0\nu\beta\beta$) decay. However, quantifying their theoretical uncertainties has been a…

Nuclear Theory · Physics 2025-08-26 X. Zhang , C. C. Wang , C. R. Ding , J. M. Yao

Reflection asymmetric covariant density functional theory(CDFT) based on the point-coupling interaction is established on a two-center harmonic-oscillator basis and applied to investigate the Ra puzzle, i.e., the anomalous enhancement of…

Nuclear Theory · Physics 2012-11-06 L. F. Yu , P. W. Zhao , S. Q. Zhang , J. Meng

Using dynamical density functional theory (DDFT) methods we investigate the laning instability of a sheared colloidal suspension. The nonequilibrium ordering at the laning transition is driven by non-affine particle motion arising from…

Soft Condensed Matter · Physics 2018-01-03 Alberto Scacchi , Andrew J. Archer , Joseph M. Brader

The nuclear chiral conundrum with crossing twin bands is investigated with three-dimensional tilted axis cranking covariant density functional theory in a fully self-consistent and microscopic way. The energy spectra and electromagnetic…

Nuclear Theory · Physics 2019-05-28 P. W. Zhao , Y. K. Wang , Q. B. Chen