Related papers: Nudged Elastic Bands and Lightly Bound Skyrmions
A new scheme of first-principles computation for strongly correlated electron systems is proposed. This scheme starts from the local-density approximation (LDA) at high-energy band structure, while the low-energy effective Hamiltonian is…
A model of an electron-beam-plasma system is introduced to model the electrical breakdown physics of low-pressure nitrogen irradiated by an intense pulsed electron beam. The rapidly rising beam current induces an electric field which drives…
We push the boundaries of electronic structure-based \textit{ab-initio} molecular dynamics (AIMD) beyond 100 million atoms. This scale is otherwise barely reachable with classical force-field methods or novel neural network and machine…
The semiclassical description of Skyrmions at small isospin chemical potential $\mu_I$ is carefully analyzed. We show that when the calculation of the energy of a nucleon is performed using the straightforward generalization of the vacuum…
A microscopic description of nuclei is important to understand the nuclear shell-model from fundamental principles. This is difficult to achieve for more than the lightest nuclei without an effective approximation scheme. The purpose of…
We discuss a semi-implicit numerical scheme that allows for minimizing the bending energy of curves within certain isotopy classes. To this end we consider a weighted sum of the bending energy and the tangent-point functional. Based on…
We study static solutions of the standard Skyrme model with a pion mass. Using approximately $10^5$ pseudo-random initial configurations made of single Skyrmions in the non-symmetrized product Ansatz and an automatic detection of repeated…
In typical flat-band models, defined as nearest-neighbor tight-binding models, flat bands are usually pinned to the special energies, such as top or bottom of dispersive bands, or band-crossing points. In this paper, we propose a simple…
Recent advances in both theoretical and computational methods have enabled large-scale, precision calculations of the properties of atomic nuclei. With the growing complexity of modern nuclear theory, however, also comes the need for novel…
In this Letter we present a new method, called chain equation method (CEM), for computing a cascade of distinct modes in a two-dimensional weakly nonlinear wave system generated by narrow frequency band excitation. The CEM is a means for…
We present a two-step method specifically tailored for band structure calculation of the small-angle moir\'{e}-pattern materials which contain tens of thousands of atoms in a unit cell. In the first step, the self-consistent field…
A systematic investigation of the high-spin band structures observed in $^{103,105,107,109}$Nb and $^{103,105,107,109}$Tc nuclides is performed using the triaxial projected shell model (TPSM) approach. For $^{103,105}$Nb isotopes, four…
Nuclei in the $Z\approx100$ mass region represent the heaviest systems where detailed spectroscopic information is experimentally available. Although microscopic-macroscopic and self-consistent models have achieved great success in…
We propose a model for nonlinearly elastic membranes undergoing finite deformations while confined to a regular frictionless surface in $\mathbb{R}^3$. This is a physically correct model of the analogy sometimes given to motivate harmonic…
Providing reliable data on the properties of atomic nuclei and infinite nuclear matter to astrophysical applications remains extremely challenging, especially when treating both properties coherently within the same framework. Methods based…
In correlated electron materials, the application of many-body techniques for the study of interaction effects or unconventional superconductivity often requires the formulation of an effective low-energy model that contains only the…
We present a new linear scaling method for the energy minimization step of semiempirical and first-principles Hartree-Fock and Kohn-Sham calculations. It is based on the self-consistent calculation of the optimum localized orbitals of any…
In this paper we consider the problem of characterizing the minimum energy configurations of a finite system of particles interacting between them due to attracting or repulsive forces given by a certain inter molecular potential. We limit…
The implementation of the orbital minimization method (OMM) for solving the self-consistent Kohn-Sham (KS) problem for electronic structure calculations in a basis of non-orthogonal numerical atomic orbitals of finite-range is reported. We…
The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron…