相关论文: A Physically Based Analytical Model to Predict Qua…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
It has been recently shown that a nanostructure composed of a quantum dot surrounded by a quantum ring possesses a set of very unique characteristics that make it a good candidate for future nanoelectronic devices. Its main advantage is the…
This paper describes the results from a numerical estimation of the force exerted by long surface waves on a fixed and partially immersed rectangular structure. The topic is connected with the need of making decisions on the design,…
We offer in this review a description of the vacuum energy of self-similar systems. We describe two views of setting self-similar structures and point out the main differences. A review of the authors' work on the subject is presented,…
The penetrable-sphere model has been introduced in the literature to describe the peculiar thermodynamic behavior of some colloidal systems. In this model the interaction potential is $\phi(r)=\epsilon>0$ if the two spheres are overlapped…
We show that real polarization method can be effectively used to geometrically quantize physical systems with compact phase space, like the spin. Our method enables us to construct a wave function of a qubit in both position and momentum…
Modeling nanoscale devices quantum mechanically is a computationally challenging problem where new methods to solve the underlying equations are in a dire need. In this paper, we present an approach to calculate the charge density in…
A quantum mechanics representation based on position ($\vec{r}$), linear momentum($\vec{p}$) and energy($E$) eigenvalues is presented here. A set of equations, explicitly independent on wave function, was derived relating these observables.…
A universal energy eigenvalue equation is proposed in this paper. It is proven that the unique set of eigenfunctions or preferred basis exists for any non-isolated sub-system. Applying the new eigenvalue equation to the relative motion of a…
We present a general framework for quantum interference (QI) between multiple, fundamentally different processes. Our framework reveals the importance of shaped input wavefunctions in enabling QI, and predicts unprecedented interactions…
This paper intends to provide a theoretical basis for the unification of the integer and the fractional quantum Hall effects. Guided by concepts and theories of quantum mechanics and with the solution of the Pauli equation in a magnetic…
In the recent years, there has been an increasing academic and industrial interest for analyzing the electrical consumption of commercial buildings. Whilst having similarities with the Non Intrusive Load Monitoring (NILM) tasks for…
The energy loss of charged particles in silicon can be approximated by a simple analytical model. With help of measured charge deposits in individual channels of hit clusters their position and energy can be estimated. Deposits below…
In molecular simulations, neural network force fields aim at achieving \emph{ab initio} accuracy with reduced computational cost. This work introduces enhancements to the Deep Potential network architecture, integrating a message-passing…
The structure of the energy levels in a deep triple well is analyzed using simple quantum mechanical considerations. The resultant spectra of the first three energy levels are found to be composed of a ground state localized at the central…
Novel results for the self-consistent single-particle spectral function and self-energy are presented for non-degenerate one-component Coulomb systems at various densities and temperatures. The GW^0-method for the dynamical self-energy is…
Biomedical applications of plasmonic nanoparticle conjugates need control over their optical properties modulated by surface coating with stabilizing or targeting molecules often attached to or embedded in the secondary functionalization…
The effect of wetting layers on the strain and electronic structure of InAs self-assembled quantum dots grown on GaAs is investigated with an atomistic valence-force-field model and an empirical tight-binding model. By comparing a dot with…
We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a…
We have proposed a method for correcting the Kohn-Sham eigen energies in the density functional theory (DFT) based on the Koopmans theorem using Wannier functions. The method provides a general approach applicable for molecules and solids…