相关论文: Computational Design of Boron-Free Triangular Mole…
We discuss the problem of the optimal design of a micro-tubular fuel cell applying an inverse homogenization technique. Fuel cells are extremely clean and efficient electrochemical power generation devices, made up of a…
We study the energetic stability and the local electronic structure of the general twisted trilayer graphene (TTG) with the top and bottom layers rotated with respect to the middle layer respectively by $\theta$ and $\theta'$. Approximate…
An explorative quantum chemical study of the triatomic molecule IYPt, its isomers, group 17 congeners, and dimer is carried out. The results indicate that IYPt is a ground-state singlet with a bent geometry and a large electric dipole…
The spin of an electron in a self-assembled InAs/GaAs quantum dot molecule is optically prepared and measured through the trion triplet states. A longitudinal magnetic field is used to tune two of the trion states into resonance, forming a…
We study the generation of entangled states using a device constructed from dipolar bosons confined to a triple-well potential. Dipolar bosons possess controllable, long-range interactions. This property permits specific choices to be made…
Organic light emitting diodes (OLEDs) based on thermally activated delayed fluorescence (TADF) utilize molecular systems with a small energy splitting between singlet and triplet states. This can either be realized in intramolecular charge…
We propose a system-oriented basis-set design based on even-tempered basis functions to variationally encode electronic ground-state information into molecular orbitals. First, we introduce a reduced formalism of concentric even-tempered…
Isoscalar (IS) monopole and dipole excitations in $^{16}$O were investigated by the method of shifted basis antisymmetrized molecular dynamics combined with the generator coordinate method. Significant strengths of the IS monopole and…
Low-temperature three-terminal transport measurements through a thiol end-capped Pi -conjugated molecule have been carried out. Electronic excitations, including zero and finite-bias Kondo-effects have been observed and studied as a…
The intrinsic geometric degree of freedom that was proposed to determine the optimal correlation energy of the fractional quantum Hall states, is analyzed for quantum confined planar electron systems. One major advantage in this case is…
Within the problem of the finding of the mean potential energy of the charged particle in the plasma in this work a classification of physical systems (electrolytes, dusty plasmas, plasmas) is made based on consideration, or lack thereof,…
Microscopic models of electronic subsystems with orbital degeneracy of energy states and non-diagonal matrix elements of electron interactions (correlated hopping) are considered within the configuration-operator approach. Equations for…
A first detailed study of the ground state of the H$_3^+$ molecular ion in linear configuration, parallel to a magnetic field direction, and its low-lying $\Si,\Pi,\De$ states is carried out for magnetic fields $B=0-4.414 \times 10^{13} $G…
Coherent nonlinear tripartite interactions are critical for advancing quantum simulation and information processing in hybrid quantum systems, yet they remain experimentally challenging and still evade comprehensive exploration. Here, we…
Molecules present a versatile platform for quantum information science, and are candidates for sensing and computation applications. Robust spin-optical interfaces are key to harnessing the quantum resources of materials. To date,…
Highly accurate variational calculations, based on a few-parameter, physically adequate trial function, are carried out for the hydrogen molecule \hh in inclined configuration, where the molecular axis forms an angle $\theta$ with respect…
Several simple models of strongly correlated bosons on three-dimensional lattices have been shown to possess exotic fractionalized Mott insulating phases with a gapless `photon' excitation. In this paper we show how to view the physics of…
Optical control of polyatomic molecules promises new opportunities in precision metrology, fundamental chemistry, quantum information, and many-body science. Contemporary experimental and theoretical efforts have mostly focused on cycling…
Exploring inelastic and reactive collisions on the quantum level is a main goal of the developing field of ultracold chemistry. We present first experimental studies of inelastic collisions of metastable ultracold triplet molecules in the…
There is a resurgence of interest in the electronic structure of perylene for its applications in molecular devices such as organic photovoltaics and organic light emitting diodes. In this study, we have obtained the low-lying singlet…