Related papers: Spectroscopic study of some diatomic molecules via…
We develop a second order correction to commonly used density functional approximations (DFA) to eliminate the systematic delocalization error. The method, based on the previously developed global scaling correction (GSC), is an exact…
The time-dependent quantum system of two laser-driven electrons in a harmonic oscillator potential is analysed, taking into account the repulsive Coulomb interaction between both particles. The Schrodinger equation of the two-particle…
Ion Coulomb crystals are currently establishing themselves as a highly controllable test-bed for mesoscopic systems of statistical mechanics. The detailed experimental interrogation of the dynamics of these crystals however remains an…
The work presents the electronic structure, spin state and optical properties of TM-dinuclear molecules (TM = Cr, Mn, Fe, Co, and Ni) which was modelled according to the recently reported Pt$^{II}$-dinuclear complex…
In this paper we propose a modified Lie-type spectral splitting approximation where the external potential is of quadratic type. It is proved that we can approximate the solution to a one-dimensional nonlinear Schroedinger equation by…
In this paper, we study the Schr\"odinger equation with a new quasi-exactly solvable double-well potential. Exact expressions for the energies, the corresponding wave functions and the allowed values of the potential parameters are obtained…
In this work, we introduce a selective and scalable extension of the multi-step Rayleigh-Schrodinger and Brillouin-Wigner perturbative scheme (see arXiv:2408.16505), designed to efficiently access the low-energy spectrum of molecular…
In quantum logic spectroscopy, internal transitions of trapped ions and molecules can be probed by measuring the motional displacement caused by an applied light field of variable frequency. This provides a solution to ``needle in a…
Using a hydrogen molecule as a test system we demonstrate how to compute the effective potential according to the formalism of the new density functional theory (DFT), in which the basic variable is the set of spherically averaged densities…
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…
Calculations of highly excited and delocalized molecular vibrational states are computationally challenging tasks, which strongly depends on the choice of coordinates for describing vibrational motions. We introduce a new method that…
High precision spectroscopy can provide a sensitive tool to test Coulomb's law on atomic length scales. This can then be used to constrain particles such as extra "hidden" photons or minicharged particles that are predicted in many…
We quantize the electromagnetic field in the presence of a nonmoving dielectric sphere in vacuum. The sphere is assumed to be lossless, dispersionless, isotropic, and homogeneous. The quantization is performed using normalized eigenmodes as…
In this work, we investigate the quantum dynamics of a particle subject to the Morse potential within the framework of Dunkl quantum mechanics. By employing the Dunkl derivative operator, which introduces reflection symmetry, we construct a…
We investigate two-frequency photoassociation of a weakly bound molecular state, focusing on a regime where the ac Stark shift is comparable to the halo-state energy. In this "high-intensity" regime, we observe features absent in…
We demonstrate that the Schr\"odinger equation for two electrons on a ring, which is the usual paradigm to model quantum rings, is solvable in closed form for particular values of the radius. We show that both polynomial and irrational…
Mesoscopic systems and large molecules are often modeled by graphs of one-dimensional wires, connected at vertices. In this paper we discuss the solutions of the Schr\"odinger equation on such graphs, which have been named "quantum…
Accurate and comprehensive diatomic molecular spectroscopic data have long been vital in a wide variety of applications for measuring and monitoring astrophysical, industrial and other gaseous environments. These data are also used…
The complex scaling method (CSM) is a useful similarity transformation of the Schr\"odinger equation, in which bound-state spectra are not changed but continuum spectra are separated into resonant and non-resonant continuum ones. Because…
Spectroscopy is an important tool for probing the properties of materials, chemicals and biological samples. We design a practical transmitter-receiver system that exploits entanglement to achieve a provable quantum advantage over all…