Related papers: The H$_2^+$ molecular ion: a solution
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…
The oscillator strengths of the $H^+_2$ molecular ion, $1s\sigma_{g}-2p\sigma_{u}$, $1s\sigma_{g}-2p\pi_{u}$ are calculated within the Born-Oppenheimer approximation. The variational expansion with randomly chosen exponents has been used…
Potential energy surfaces of the hydrogen molecular ion H$_2^+$ in the Born-Oppenheimer approximation are computed by means of the Riccati-Pad\'e method (RPM). The convergence properties of the method are analyzed for different states. The…
The static dipole polarizabibility for the $1s\sigma$ electron state of the $\mathrm{H}_{2}^{+}$ hydrogen molecular ion is calculated within Born-Oppenheimer approximation. The variational expansion with randomly chosen exponents has been…
The mutual neutralization of H^+ and H^- ions at low collision energies is studied by means of a molecular close-coupling approach. All degrees of freedom are treated at the full quantum level taking into account also the identity of the…
The Born-Oppenheimer potential for the $^1\Sigma_g^+$ state of H$_2$ is obtained in the range of 0.1 -- 20 au, using analytic formulas and recursion relations for two-center two-electron integrals with exponential functions. For small…
Three simple $7-, (7+3)-, 10-$parametric trial functions for the ${\rm H}_3^+$ molecular ion are presented. Each of them provides subsequently the most accurate approximation for the Born-Oppenheimer ground state energy among…
The Dirac equation for H$_2^+$ is solved numerically using an iterative method proposed by Kutzelnigg [Z. Phys. 11, 15 (1989]. The four-component wavefunction is expanded in a newly introduced kinetically balanced exponential basis set. The…
We present high-precision non-relativistic variational calculations of bound vibrational-rotational state energies for the $H_2^+$ and $D_2^+$ molecular ions in each of the lowest electronic states of $\Sigma_g$, $\Sigma_u$, and $\Pi_u$…
Systematic QED calculations of ionization energies of the $2s$, $2p_{1/2}$, and $2p_{3/2}$ states, as well as the $2p_{1/2}$--$2s$ and $2p_{3/2}$--$2p_{1/2}$ transition energies are performed for Li-like ions with the nuclear charge numbers…
Analytic consideration of the Bohr-Oppenheimer (BO) approximation for diatomic molecules is proposed: accurate analytic interpolation for potential curve consistent with its rovibrational spectra is found. It is shown that in the…
We propose a modified Poisson-Nernst-Planck (PNP) model to investigate charge transport in electrolytes of inhomogeneous dielectric environment. The model includes the ionic polarization due to the dielectric inhomogeneity and the ion-ion…
Relativistic and QED corrections to the recently discovered first vibrational $2p\sigma_u$ state are presented. This state has an extremely small nonrelativistic binding energy $E_B=1.085045252(1)\times10^{-9}$ a.u. Its wave functions has a…
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
We calculate ionization energies and fundamental vibrational transitions for H$_2^+$, D$_2^+$, and HD$^+$ molecular ions. The NRQED expansion for the energy in terms of the fine structure constant $\alpha$ is used. Previous calculations of…
We demonstrate high accuracy calculations for the HeH$^+$ molecule using newly developed analytic formulas for two-center two-electron integrals with exponential functions. The Born-Oppenheimer potential for the ground electronic…
Herein, we present analytical solutions for the electronic energy eigenvalues of the hydrogen molecular ion H2+, namely the one-electron two-fixed-center problem. These are given for the homonuclear case for the countable infinity of…
We present improved theoretical calculations of transition frequencies for the fundamental transitions $(L\!=\!0,v\!=\!1)\to(L'\!=\!0,v'\!=\!0)$ in the hydrogen molecular ions H$_2^+$ and HD$^+$ with a relative uncertainty $4\cdot10^{-11}$…
Longstanding problems in the comparison of very accurate hyperfine-shift measurements to theory were partly overcome by precise measurements on few-electron highly-charged ions. Still the agreement between theory and experiment is…
A calculation of the one-loop self-energy and vacuum-polarization corrections to the hyperfine splitting of the 1s and 2s states in light H-like ions is carried out to all orders in the parameter Z \alpha. Using the known values for the Z…