相关论文: Vortex formation in quantum dots in high magnetic …

Density functional theory (DFT) based modeling of electronic excited states is of importance for investigation of the photophysical/photochemical properties and spectroscopic characterization of large systems. The widely used linear…

We present full quantum mechanical conductance calculations of a quantum point contact (QPC) performed in the framework of the density functional theory (DFT) in the local spin-density approximation (LDA). We show that a spin-degeneracy of…

In order to obtain a reasonably accurate and easily implemented approach to many-electron calculations, we will develop a new Density Functional Theory (DFT). Specifically, we derive an approximation to electron density, the first term of…

Using gradient expansion method the particle density, the energy and the action were calculated at the formation of a vortex-skyrmion at high magnetic field. No approximation of single Landau level was used contrary to other papers on the…

In this paper we predict many interesting new properties of vortices in highly anisotropic density wave systems subject to strong transverse electric fields. We mainly concentrate on ground state properties. Besides electric field-induced…

The key features of density-functional theory (DFT) within a minimalistic implementation of quantum electrodynamics are demonstrated, thus allowing to study elementary properties of quantum-electrodynamical density-functional theory…

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…

We present a reformulation of QM/MM as a fully quantum mechanical theory of interacting subsystems, all treated at the level of density functional theory (DFT). For the MM subsystem, which lacks orbitals, we assign an ad hoc electron…

Using density functional theory, we have theoretically studied the formation and the stability of vortices in quantum liquid droplets composed of a mixture of hyperfine states of potassium. Following the experimental setup that produced…

This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…

We establish stability and characteristics of two-dimensional (2D) vortex ring-shaped quantum droplets (QDs) formed by binary Bose-Einstein condensates (BECs). The system is modeled by the Gross-Pitaevskii (GP) equation with the cubic term…

A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum many-body systems. Within this framework, explicit expressions…

Results of the first ab initio simulations of InN/GaN multiquantum well (MQW) system are presented. The DFT results confirm the presence of the polarization charge at InN/GaN interfaces, i.e. at polar InN/GaN heterostructures. These results…

This chapter provides a basic introduction to excited-state extensions of density functional theory (DFT), including time-dependent (TD-)DFT in both its linear-response and its explicitly time-dependent formulations. As applied to the…

Laterally coupled quantum dot molecules are studied using exact diagonalization techniques. We examine the two-electron singlet-triplet energy difference as a function of magnetic field strength and investigate the magnetization and vortex…

Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…

We investigate dynamic creation of fractionalized half-quantum vortices in Bose-Einstein condensates of sodium atoms. Our simulations show that both individual half-quantum vortices and vortex lattices can be created in rotating optical…

Nuclear Density Functional Theory (DFT) plays a prominent role in the understanding of nuclear structure, being the approach with the widest range of applications. Hohenberg and Kohn theorems warrant the existence of a nuclear Energy…

Over the last few decades, classical density-functional theory (DFT) and its dynamic extensions (DDFTs) have become powerful tools in the study of colloidal fluids. Recently, previous DDFTs for spherically-symmetric particles have been…

The charge and spin patterns of a quantum dot embedded into a spin-orbit coupled quantum wire subject to a magnetic field are investigated. A Luttinger liquid theory is developed, taking into account open boundaries and finite magnetic…