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We report \textit{ab initio} calculations of the X $^2 \Sigma_{u}^+$, A $^2\Pi_u$ and B $^2 \Sigma_{g}^+$ states of the Ca$_{2}^+$ dimer. All electron CAS+MRCI calculations are performed for the X $^2 \Sigma_{u}^+$ and B $^2 \Sigma_{g}^+$…
In this work we propose a probabilistic method which allows an unambiguous modification of two non-orthogonal quantum states. We experimentally implement this protocol by using two-photon polarization states generated in the process of…
A contactless control of mean values and fluctuations of position and velocity of a nanoobject belongs among the key methods needed for ultra-precise nanotechnology and the upcoming quantum technology of macroscopic systems. An analysis of…
In this work we report ab initio calculations for the $H_2^+$ molecule interacting with ultrashort intense laser pulses. We analyse several observables that can, in principle, be available experimentally, in order to get a deeper…
Radiative corrections to electronic structure are characterized by perturbative expansions in $\alpha$ and $Z\alpha$, where $\alpha$ is the fine-structure constant and $Z$ is the nuclear charge. A formulation of the leading-order…
We propose the fast semi-analytical method of modelling the polarization curves in the voltammetric experiment. The method is based on usage of the special func- tions and shows a big calculation speed and a high accuracy and stability. Low…
We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of the field. We report on \textit{ab initio}…
We present here a formulation of the electronic ground-state energy in terms of the second order reduced density matrix, using a duality argument. It is shown that the computation of the ground-state energy reduces to the search of the…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…
We extend our approach based on the second order perturbation theory in the Coulomb interaction recently developed for quantum dots coupled to superconducting leads to the superconducting double quantum dot setups. Using our perturbative…
Reduced basis methods provide a powerful framework for building efficient and accurate emulators. Although widely applied in many fields to simplify complex models, reduced basis methods have only been recently introduced into nuclear…
The explicit semiclassical treatment of the logarithmic perturbation theory for the bound-state problem for the spherical anharmonic oscillator and the screened Coulomb potential is developed. Based upon the $\hbar$-expansions and suitable…
An alternative approximation scheme has been used in solving the Schroedinger equation for the exponential-cosine-screened Coulomb potential. The bound state energies for various eigenstates and the corresponding wave functions are obtained…
This is the second article in which we study the rotating Morse potential model for diatomic molecules using the tridiagonal J-matrix approach. Here, we improve further the accuracy of computing the bound states and resonance energies for…
We study the problem of the attractive inverse square potential in quantum mechanics with a generalized uncertainty relation. Using the momentum representation, we show that this potential is regular in this framework. We solve analytically…
The Variational Method is applied within the context of Supersymmetric Quantum Mechanics to provide information about the energy and eigenfunction of the lowest levels of a Hamiltonian. The approach is illustrated by the case of the Morse…
Ultracold collisions between spin-polarized Na atoms and vibrationally excited Na_2 molecules are investigated theoretically, using both an inelastic formalism (neglecting atom exchange channels) and a reactive formalism (including atom…
Estimating the values of unknown parameters from corrupted measured data faces a lot of challenges in ill-posed problems. In such problems, many fundamental estimation methods fail to provide a meaningful stabilized solution. In this work,…
Using perturbed relativistic coupled-cluster (PRCC) theory we compute the ground state electric dipole polarizability, $\alpha$, of doubly ionized alkaline earth metal ions $\rm{Mg}^{2+}$, $\rm{Ca}^{2+}$, $\rm{Sr}^{2+}$, $\rm{Ba}^{2+}$ and…
An analytical representation for the potential energy curve for the ground state $X^1\Sigma^+$ of the hydrogen fluoride molecule (HF) is presented in the frame of the Born-Oppenheimer approximation. The analytical expression for the…