Related papers: Cluster formation in pre-compound nuclei in the ti…
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…
Time-dependent density-functional theory (TDDFT) is deemed to be a formally rigorous way of dealing with the time-evolution of a many-electron system at the level of electron densities rather than the underlying wavefunctions, which in turn…
In the last 10 years, we have observed an important increase of interest in the application of time-dependent energy density functional theory (TD-EDF). This approach allows to treat nuclear structure and nuclear reaction from small to…
Time-dependent density functional theory (TDDFT) is rapidly emerging as a premier method for solving dynamical many-body problems in physics and chemistry. The mathematical foundations of TDDFT are established through the formal existence…
We compute nuclear response functions by solving the time-dependent A-body Schr\"odinger equation, recording the time-dependent transition moment and extracting spectral information via Fourier transforms. The solution of the time-dependent…
We propose a machine learning based approach to develop the exchange-correlation potential of time dependent density functional theory (TDDFT). The neural network projection from the time-varying electron densities to the corresponding…
We study fusion reactions of the $^{64}$Ni+$^{64}$Ni system using the density-constrained time-dependent Hartree-Fock (TDHF) formalism. In this formalism the fusion barriers are directly obtained from TDHF dynamics. In addition, we…
Transition-metal nanoclusters exhibit structural and electronic properties that depend on their size, often making them superior to bulk materials for heterogeneous catalysis. However, their performance can be limited by sulfur poisoning.…
We present results of collisions of $^{90}$Zr+$^{90}$Zr and $^{96}$Zr+$^{96}$Zr obtained within time-dependent density functional theory (TDDFT) extended to superfluid systems, known as time-dependent superfluid local density approximation…
Eigenvalue problems and linear systems of equations involving large symmetric matrices are commonly solved in quantum chemistry using Krylov space methods, such as the Davidson algorithm. The preconditioner is a key component of Krylov…
Surface energies of metal-based systems are important for determining the Wulff-constructed shapes of metal nanoparticles and understanding the stability. We have developed a coordination number-based model to predict the total energy of…
We propose a scheme for calculation of linear optical response of current-carrying molecular junctions for the case when electronic tunneling through the junction is much faster than characteristic time of external laser field. We discuss…
Using the framework of nuclear energy density functionals we examine the conditions for single-nucleon localization and formation of cluster structures in finite nuclei. We propose to characterize localization by the ratio of the dispersion…
First-order nonadiabatic coupling matrix elements (fo-NACMEs) are the basic quantities in theoretical descriptions of electronically nonadiabatic processes that are ubiquitous in molecular physics and chemistry. Given the large size of…
The nuclear fusion is a reaction to form a compound nucleus. It plays an important role in several circumstances in nuclear physics as well as in nuclear astrophysics, such as synthesis of superheavy elements and nucleosynthesis in stars.…
Cluster production plays an important role in heavy-ion collisions at intermediate beam energies, where light nuclei contribute substantially to final-state yields and to other observables that are used to infer the nuclear equation of…
The formation of weakly bound clusters in the hot and dense environment at midrapidity is one of the surprising phenomena observed experimentally in heavy-ion collisions from a low center of mass energy of a few GeV up to a…
Theoretical modeling of nucleus-nucleus collision often is based on the nucleus-nucleus potential. One of the advanced methods for constructing this potential is the semi-microscopical double-folding model with the M3Y-Paris NN-forces.…
Time-Dependent Density Functional Theory (TDDFT) has recently been extended to describe many-body open quantum systems (OQS) evolving under non-unitary dynamics according to a quantum master equation. In the master equation approach,…
Background: The time-dependent Hartree-Fock (TDHF) theory has been successful in describing low-energy heavy ion collisions. Recently, we have shown that multinucleon transfer processes can be reasonably described in the TDHF theory…