相关论文: Covariant density functional theory for nuclear ch…

Time-dependent density-functional theory (TDDFT) is an extension of ground-state density-functional theory which allows the treatment of electronic excited states and a wide range of time-dependent phenomena in the linear and nonlinear…

Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant…

Time-dependent covariant density functional theory (TD-CDFT) combined with angular momentum projection is developed and applied to study multinucleon transfer (MNT) reactions, with a focus on the intrinsic angular momentum distributions of…

To examine the applicability of the time-dependent density-functional theory (TDDFT) for treating the electron-nucleus coupling in excited states, we calculate the strength distribution associated with the pi-pi* transition in ethylene. The…

A relativistic nuclear energy density functional is developed, guided by two important features that establish connections with chiral dynamics and the symmetry breaking pattern of low-energy QCD: a) strong scalar and vector fields related…

Photoionization dynamics of the RNA base Uracil is studied in the framework of Density Functional Theory (DFT). The photoionization calculations take advantage of a newly developed parallel version of a multicentric approach to the…

In recent years, a number of dynamical density functional theories (DDFTs) have been developed for describing the dynamics of the one-body density of both colloidal and atomic fluids. In the colloidal case, the particles are assumed to have…

Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the…

Density functional theory (DFT), the most widely adopted method in modern computational chemistry, fails to describe accurately the electronic structure of strongly correlated systems. Here we show that DFT can be formally and practically…

The nuclear multiple chirality in $A\sim60$ mass region is explored by the adiabatic and configuration-fixed constrained covariant density functional theory for cobalt isotopes. The potential-energy curves and triaxiality parameters…

Adopting the fully quantal triaxial particle rotor model, the candidate chiral doublet bands in odd-$A$ nuclei $^{103}$Rh and $^{105}$Rh with $\pi g_{9/2}^{-1}\otimes\nu h^{2}_{11/2}$ configuration are studied. For the doublet bands in both…

The study of high-speed rotating matter is a crucial research topic in physics due to the emergence of novel phenomena. In this paper, we combined cranking covariant density functional theory (CDFT) with a similar renormalization group…

We propose a nonadiabatic time-dependent spin-density functional theory (TDSDFT) approach for studying the single-electron excited states and the ultrafast response of systems with strong electron correlations. The correlations are…

The particle-hole interaction problem is longstanding within time-dependent density functional theory (TDDFT) and leads to extreme errors in the prediction of K-edge X-ray absorption spectra (XAS). We derive a linear-response formalism that…

The superadiabatic dynamical density functional theory (superadiabatic-DDFT) is a promising new method for the study of colloidal systems out-of-equilibrium. Within this approach the viscous forces arising from interparticle interactions…

A real-space representation of the current response of many-electron systems with possible applications to x-ray nonlinear spectroscopy and magnetic susceptibilities is developed. Closed expressions for the linear, quadratic and third-order…

The 2p-3d core hole interaction in the L2,3 absorption spectra of the 3d transition metals is treated within time-dependent density functional theory (TDDFT). A simple three-level model explains the origin of the strong deviations from the…

Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…

The shell-model-like approach is implemented to treat the cranking many-body Hamiltonian based on the covariant density functional theory including pairing correlations with exact particle number conservation. The self-consistency is…

Electromagnetic transition probabilities have been measured for the intra- and inter-band transitions in the two sequences in the nucleus ^{135}Nd that were previously identified as a composite chiral pair of rotational bands. The…