相关论文: Computational Design of Boron-Free Triangular Mole…

The orbital, spin and valley degrees of freedom in silicon quantum dots support many modes of spin qubit operation. However, it is generally challenging to obtain information about the energy level spectrum over large ranges of parameter…

Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…

We analyze changes of the electronic structure of a triangular molecule under the influence of an electric field (i.e., the Stark effect). The effects of the field are shown to be anisotropic and include both a linear and a nonlinear part.…

In this paper, nuclear structure of yrast state bands of even-even 120-130Te isotopes has been studied under the frame work of interacting boson model (IBM-1). The theoretical energy levels for Z=52, even N = 68-78 up to 12+ state have been…

In single-molecule transistors, we observe inelastic cotunneling features that correspond energetically to vibrational excitations of the molecule, as determined by Raman and infrared spectroscopy. This is a form of inelastic electron…

Complex mesoscopic systems play increasingly important roles in modern science -- from understanding biological functions at the molecular level, to designing solid-state information processing devices. The operation of these systems…

Excited-state electronic structure in strongly correlated systems remains challenging due to the exponential scaling of the many-body Hilbert space and the difficulty of constructing systematically controlled active spaces. Building on the…

We formulate a three-dimensional semi-classical model to treat three-electron escape dynamics in a strongly-driven linear triatomic molecule, HeH$_{2}^{+}$. Our model includes the Coulomb singularities. Hence, to avoid unphysical…

We study a simple model consisting of an atomic ion and a polar molecule trapped in a single setup, taking into consideration their electrostatic interaction. We determine analytically their collective modes of excitation as a function of…

Two-dimensional materials can be crafted with structural precision approaching the atomic scale, enabling quantum defects-by-design. These defects are frequently described as artificial atoms and are emerging optically-addressable spin…

The electronic properties of the twisted InSe bilayer are studied by large-scale density functional theory. Spectral Function Unfolding reveals that the electronic structure of the twisted system can be described in terms of a combination…

In this article, we demonstrate the restricted Hartree-Fock electronic structure computation of the molecule $H_3^+$ through computational algebra. We approximate the Hartree-Fock total energy by a polynomial composed of LCAO coefficients…

Molecules that have been suggested to violate the Hund's rule, having a first excited singlet state (S$_1$) energetically below the triplet state (T$_1$), are rare. Yet, they hold the promise to be efficient light emitters. Their…

Geometrically frustrated many-particle quantum systems are notoriously hard to study numerically but are of profound interest because of their unusual properties and emergent phenomena. In these systems energetic constraints cannot be…

We study Coulomb interacting electrons confined in polygonal quantum rings. We focus on the interplay of localization at the polygon corners and Coulomb repulsion. Remarkably, the Coulomb repulsion allows the formation of in-gap states,…

A three-configuration mixing calculation is performed in the context of the interacting boson model with the aim to describe recently observed collective bands built on low-lying $0^+$ states in neutron-deficient lead isotopes. The…

Establishing the hybrid entanglement among a growing number of matter and photonic quantum bits is necessary for the scalable quantum computation and long distance quantum communication. Here we demonstrate that charged excitonic complexes…

We investigate electronic transport through two types of conjugated molecules. Mechanically controlled break-junctions are used to couple thiol endgroups of single molecules to two gold electrodes. Current-voltage characteristics (IVs) of…

Molecular states in a SINGLE PAIR of strongly coupled self-assembled InAs quantum dots are investigated using a sub-micron sized single electron transistor containing just a few pairs of coupled InAs dots embedded in a GaAs matrix. We…

Coupled elliptic quantum dots with different aspect ratios containing up to two electrons are studied using a model confinement potential in the presence of magnetic fields. Single and two particle Schroedinger equations are solved using…