Related papers: Clustering and pasta phases in nuclear density fun…
Background: Exotic non-spherical nuclear pasta shapes are expected in nuclear matter at just below saturation density because of competition between short range nuclear attraction and long range Coulomb repulsion. Purpose: We explore the…
Modern applications of Covariant Density Functional Theory (CDFT) are discussed. First we show a systematic investigation of fission barriers in actinide nuclei within constraint relativistic mean field theory allowing for triaxial…
Historically, a sequence of nuclear pasta shapes was predicted to appear in the deepest region of the inner crust of a neutron star within the compressible liquid-drop picture, when the filling fraction $u$ exceeds some threshold values.…
Density Functional Theory (DFT) has become a cornerstone in the modeling of metals. However, accurately simulating metals, particularly under extreme conditions, presents two significant challenges. First, simulating complex metallic…
Nucleonic matter displays a quantum liquid structure, but in some cases finite nuclei behave like molecules composed of clusters of protons and neutrons. Clustering is a recurrent feature in light nuclei, from beryllium to nickel. For…
Nuclear ground state and collective excitation properties provide a means to probe the nuclear matter equation of state and establish connections between observables in finite nuclei and neutron stars. Specifically, the electric dipole…
This chapter starts with a summary of the atomistic processes that occur during epitaxy. We then introduce density functional theory (DFT) and describe its implementation into state-of-the-art computations of complex processes in condensed…
We study the properties of pasta structures and their influence on the neutron star observables employing the effective relativistic mean-field (E-RMF) model. The compressible liquid drop model is used to incorporate the finite size…
The accurate description of open-shell molecules, in particular of transition metal complexes and clusters, is still an important challenge for quantum chemistry. While density-functional theory (DFT) is widely applied in this area, the…
The appearance of nuclear clusters in stellar matter at densities below nuclear saturation is an important feature in the modeling of the equation of state for astrophysical applications. There are different theoretical concepts to describe…
Density functional theory (DFT) is one of the main methods in Quantum Chemistry that offers an attractive trade off between the cost and accuracy of quantum chemical computations. The electron density plays a key role in DFT. In this work,…
The use of quantality is discussed in the case of nuclei and other many-body systems such as atomic electrons. This dimensionless quantity is known to indicate when a many-body system behaves like a crystal or a quantum liquid. Its role is…
I describe the foundation of a Density Functional Theory approach to include pairing correlations, which was applied to a variety of systems ranging from dilute fermions, to neutron stars and finite nuclei. Ground state properties as well…
In this work, we focus on different length scales within the dynamics of nucleons in conditions according to the neutron star crust, with a semiclassical molecular dynamics model, studying isospin symmetric matter at subsaturation…
The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…
Linear-scaling implementations of density functional theory (DFT) reach their intended efficiency regime only when applied to systems having a physical size larger than the range of their Kohn-Sham density matrix (DM). This causes a problem…
Using relativistic mean-field models, the formation of clusterized matter, as the one expected to exist in the inner crust of neutron stars, is determined under the effect of strong magnetic fields. As already predicted from a calculation…
We investigate the phase ordering (pattern formation) of systems of two-dimensional core-shell particles using Monte-Carlo (MC) computer simulations and classical density functional theory (DFT). The particles interact via a pair potential…
Properties of inhomogeneous nuclear matter are evaluated within a relativistic mean field approximation using density dependent coupling constants. A parameterization for these coupling constants is presented, which reproduces the…
The role of metastable liquid phases in vapor-crystal nucleation is studied using Density Functional Theory(DFT). The model gives a semi-quantitatively accurate description of both the vapor-liquid-solid phase diagram for both simple fluids…