Related papers: A regularized inverted perturbation approach metho…
We report ab initio calculations of the X $^2 \Sigma_{u}^+ $ and B $^2 \Sigma_{g}^+$ states of the Be$_{2}^+$ dimer. Full valence configuration interaction calculations were performed using the aug-cc-pVnZ basis sets and the results were…
State-of-the-art ab initio techniques have been applied to compute the potential energy curves for the electronic states in the A^1\Sigma_u^+, c^3\Pi_u, and a^3\Sigma_u^+ manifold of the strontium dimer, the spin-orbit and nonadiabatic…
The X$^{1}\Sigma ^{+}$ state of NaRb was studied by Fourier transform spectroscopy. An accurate potential energy curve was derived from more than 8800 transitions in isotopomers $^{23}$Na$^{85}$Rb and $^{23}$Na$^{87}$Rb. This potential…
We address polarization-induced renormalization of molecular levels in solid-state based single-molecule transistors and focus on an organic conjugate molecule where a surprisingly large reduction of the addition energy has been observed.…
The energy shaping method, Controlled Lagrangian, is a well-known approach to stabilize the under-actuated Euler Lagrange (EL) systems. In this approach, to construct a control rule, some nonlinear, nonhomogeneous partial differential…
A non-perturbative method which can go beyond the weak coupling perturbation theory is introduced. Essential idea is to formulate a set of exact differential equations as a function of the coupling strength $g$. Unlike other resummation in…
A numerical algorithm for studying strongly correlated electron systems is proposed. The groundstate wavefunction is projected out after numerical renormalization procedure in the path integral formalism. The wavefunction is expressed from…
The $A^1\Sigma^+_u$ - $X^1\Sigma^+_g$ UV spectrum of Mg$_2$ has been investigated with high resolution employing Fourier-transform spectroscopy and laser excitation. Computer simulation and fit of line positions to the overlapping…
The experimentally-observed non-trivial electronic structure of the Cr$_2$ dimer has made the calculation of its potential energy curve a theoretical challenge in the last decades. By matching the perturbation theory at small internuclear…
A recently proposed renormalization scheme can be used to deal with nonrelativistic potential scattering exhibiting ultraviolet divergence in momentum space. A numerical application of this scheme is made in the case of potential scattering…
Matching for a wavefunction the WKB expansion at large distances and Taylor expansion at small distances leads to a compact, few-parametric uniform approximation found in {\it J. Phys. B44, 101002 (2011)}. The ten low-lying eigenstates of…
Using the variational method, a detailed study of the lowest m = 0,-1 electronic states of the exotic molecular ion H_4^{3+} in a strong magnetic field, in the linear symmetric configuration parallel to the direction of the magnetic field…
The static electric dipole polarizability of $\mathrm{Na_N}$ clusters with even N has been calculated in a collective, axially averaged and a three-dimensional, finite-field approach for $2\le N \le 20$, including the ionic structure of the…
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…
Atomistic electronic structure calculations are performed to study the coherent inter-dot couplings of the electronic states in a single InGaAs quantum dot molecule. The experimentally observed excitonic spectrum [12] is quantitatively…
This work concerns \emph{ab initio} calculations of the complete potential energy curve and spectroscopic constants for the ground state $X^1\Sigma_g^+$ of the beryllium dimer, Be$_2$. High accuracy and reliability of the results is one of…
Spectroscopic techniques are very essential tools in studying electronic structures, spectroscopic constants and energetic properties of diatomic molecules. These techniques are also required for parametrization of new method based on…
Vacuum polarization corrections to the energy levels of bound electrons are calculated using a perturbative path integral formalism. We apply quantum electrodynamics in a framework which treats the strong binding nuclear field to all…
Energies and transition probabilities for low lying states in $^{134}$Ba and $^{104$Ru were calculated within a hybrid model.The ground and the first $2^+$ states are described alternatively as a harmonic and anharmonic vibrator states…
We present a polymer quantization of the -lambda/r^2 potential on the positive real line and compute numerically the bound state eigenenergies in terms of the dimensionless coupling constant lambda. The singularity at the origin is handled…