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

Improving the accuracy and thus broadening the applicability of electronic density functional theory (DFT) is crucial to many research areas, from material science, to theoretical chemistry, biophysics and biochemistry. In the last three…

In order to describe the nonisothermal dynamics of two-phase flows or binary mixtures such as colloidal suspensions consisting of colloidal particles and solvent on a microscopic level, we derive a new extended dynamical density functional…

We consider the motion of electrons confined to a two dimensional plane with an externally applied perpendicular inhomogeneous magnetic field, both with and without a Coulomb potential. We find that as long as the magnetic field is…

Electrons in zero external magnetic field can be studied with density functional theory (DFT) or with spin-DFT (SDFT). The latter is normally used for open shell systems because its approximations appear to model better the exchange and…

One of the central problems in quantum mechanics is to determine the ground state properties of a system of electrons interacting via the Coulomb potential. Since its introduction by Hohenberg, Kohn, and Sham, Density Functional Theory…

Density functional theory (DFT) calculation has had huge success as a tool capable of predicting important physical and chemical properties of condensed matter systems. We calculate the electric dipole moment of a molecule by using the…

We consider a binary bosonic condensate with weak mean-field (MF) residual repulsion, loaded in an array of nearly one-dimensional traps coupled by transverse hopping. With the MF force balanced by the effectively one-dimensional…

In confined magnetically ordered structures one can observe vortices of magnetization and electromagnetic power flow vortices. There are topologically distinct and robust states. In this paper we show that in a normally magnetized quasi-2D…

Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…

The effect of quantum coherence involving macroscopic degree of freedom, and occurring in systems far larger than individual atoms are one of the topical fields in modern physics. Because of material dispersion, a phenomenological approach…

According to the Hohenberg-Kohn theorem of density-functional theory (DFT), all observable quantities of systems of interacting electrons can be expressed as functionals of the ground-state density. This includes, in principle, the spin…

The spin structure in a magnetic dot, which is an example of a quantum few-body system, is studied as a function of exchange coupling strength and dot size with in the semiclassical approximation on a discrete lattice. As the exchange…

Density functional theory (DFT) is shown to provide a novel conceptual and computational framework for entanglement in interacting many-body quantum systems. DFT can, in particular, shed light on the intriguing relationship between quantum…

Density functional theory (DFT) is an essential building block for modern theoretical physics, chemistry, and engineering, especially those concerning electronic properties. Through decades of development, various program packages for…

Ground-state electronic structure calculations using Kohn-Sham density functional theory (KS-DFT) offer an unprecedented balance between efficiency and accuracy, now paradigmatic to the fields of quantum chemistry and condensed matter…

We study a two-electron quantum dot molecule in a magnetic field by the direct diagonalization of the Hamiltonian matrix. The ground states of the molecule with the total spin S=0 and S=1 provide a possible realization for a qubit of a…

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. In this Part~II of a…

Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…

Ground-state and excited-state properties of vertically coupled double quantum dots are studied by exact diagonalization. Magic-number total angular momenta that minimize the total energy are found to reflect a crossover between electron…

Quantum vortices in superfluids may capture matter and deposit it inside their core. By doping vortices with foreign particles one can effectively visualize them and study experimentally. To acquire a better understanding of the interaction…