Related papers: HF, DF, TF: Approximating potential curves, calcul…
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…
Inelastic low-energy (0--1 eV) collisions of electrons with HeH$^+$ cations are treated theoretically, with a focus on the rovibrational excitation and dissociative recombination (DR) channels. In an application of {\it ab initio}…
New ab initio potential energy surfaces for the doublet pi ground electronic state of the Ar-SH complex are presented, calculated at the RCCSD(T)/aug-cc-pV5Z level. Weakly bound rotation-vibration levels are calculated using coupled-channel…
The static and dynamic electric multipolar polarizabilities and second hyperpolarizabilities of the H$_2^+$, D$_2^+$, and HD$^+$ molecular ions in the ground and first excited states are calculated nonrelativistically using explicitly…
Constrained Relativistic Mean Field (RMF) calculations have been carried out to estimate excitation energies relative to the ground state for superdeformed bands in the mass regions A $\sim$ 190 and A $\sim$ 150. It is shown that RMF theory…
We perform one- and two-photon high resolution spectroscopy on ultracold samples of RbCs Feshbach molecules with the aim to identify a suitable route for efficient ground-state transfer in the quantum-gas regime to produce quantum gases of…
The energy levels of the Schr\"odinger equation under the Eckart-Hellmann potential (EHP) energy function are studied by the Nikiforov-Uvarov-Functional Analysis (NUFA) method. We obtained the analytic solution of the energy spectra and the…
The ground states of the two-dimensional repulsive Hubbard model are studied within the unrestricted Hartree-Fock (UHF) theory. Magnetic and charge properties are determined by systematic, large-scale, exact numerical calculations, and…
The rovibronic (rotation-vibration-electronic) spectrum of the calcium monohydroxide radical (CaOH) is of interest to studies of exoplanet atmospheres and ultracold molecules. Here, we theoretically investigate the…
The present work reports the spectroscopic parameters and molecular properties for the ground electronic state, $^1\Sigma^+$, of CdH$^+$, HgH$^{+}$, and YbH$^{+}$ molecular ions. We have used the state-of-the-art relativistic coupled…
Although the existence of quasi-bound rotational levels of the $X^+ \ ^2\Sigma_g^+$ ground state of H$_2^+$ has been predicted a long time ago, these states have never been observed. Calculated positions and widths of quasi-bound rotational…
In this work, we used a tool of conventional Nikiforov-Uvarov method to determine bound state solution of Schrodinger equation with quantum interaction potential called Hulthen-Yukawa inversely quadratic potential (HYIQP). We obtained the…
The latest molecular data - potential energy curves and Rydberg-valence interactions - characterising the super-excited electronic states of BF are reviewed in order to provide the input for the study of their fragmentation dynamics.…
We combined high-resolution Fourier-transform spectroscopy and large-scale electronic structure calculation to study energy and radiative properties of the high-lying (3)1{\Pi} and (5)1{\Sigma}+ states of the RbCs molecule. The…
The electronic structure of six low-lying electronic states of scandium hydride, $X\,{}^{1}\Sigma^+$, $a\,{}^{3}\Delta$, $b\,{}^{3}\Pi$, $A\,{}^{1}\Delta$ $c\,{}^{3}\Sigma^+$, and $B\,{}^{1}\Pi$, is studied using multi-reference…
We find approximate analytical presentation of the solutions $\Psi(r_1, r_2, r_{12})$ of Schr\"odinger equation for two-electron system bound by the nucleus, in the space region $r_{1,2}=0$ and $r_{12}=0$ that are of great importance for a…
The Tietz-Hua (TH) potential is one of the very best analytical model potentials for the vibrational energy of diatomic molecules. By using the Nikiforov-Uvarov (NU) method, we have obtained the exact analytical s-wave solutions of the…
We present a combination of theoretical calculations and experiments for the low-lying vibrational excitations of H and D atoms adsorbed on the Pt(111) surface. The vibrational band states are calculated based on the full three-dimensional…
Rovibrational energies, wave functions, and Raman transition moments are reported for the lowest-energy states of the H$_3^+$ molecular ion including the magnetic couplings of the proton spins and molecular rotation in the presence of a…
We suppose: (1) that the ground-state eigenvalue E = F(v) of the Schroedinger Hamiltonian H = -Delta + vf(x) in one dimension is known for all values of the coupling v > 0; and (2) that the potential shape can be expressed in the form f(x)…