相关论文: Quadrupole transitions in the bound rotational-vib…
We present a nonrelativistic calculation of the rotation-vibration levels of the molecular ions H2+, D2+ and HD+, relying on the diagonalization of the exact three-body Hamiltonian. The J=2 levels are obtained with a very high accuracy of…
Rotational transitions in molecular hydrogen collisions are computed. The two most recently developed potential energy surfaces for the H2-H2 system are used from the following works: 1) A.I. Boothroyd, P.G. Martin, W.J. Keogh, M.J.…
The semiclassical Kepler-Coulomb problem and the quantum-mechanical Schr\"odinger-Coulomb problem are compared for their predictions of quadrupole E2 transitions. The semiclassical treatment involves an extension of previous work for the…
The three-body scattering problem in Coulombic systems is widespread, however yet unresolved problem by the mathematically rigorous methods. In this work this long term challenge has been undertaken by combining distorted waves and…
Schr\"odinger equation for two center Coulomb plus harmonic oscillator potential is solved by the method of ethalon equation at large intercenter separations. Asymptotical expansions for energy term and wave function are obtained in the…
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…
Accurate calculations for the ground state of the molecular ions He$_2^{3+}$ and HeH$^{2+}$ placed in a strong magnetic field $B\gtrsim 10^{2}$ a.u. ($\approx 2.35 \times 10^{11}$G) using the Lagrange-mesh method are presented. The…
We present a comprehensive analysis of all currently available high-accuracy frequency measurements of rotational and rovibrational transitions in the hydrogen molecular ion HD$^+$. Our analysis utilises the theoretically calculated…
Exact bound state solutions and corresponding normalized eigenfunctions of the radial Schr\"odinger equation are studied for the pseudoharmonic and Mie-type potentials by using the Laplace transform approach. The analytical results are…
In this work we study the last two hydrogen molecular ion isotopologues: DT$^+$ and T$_2^+$, for which high-precision calculations have not yet been made. We obtain the nonrelativistic solutions of the Schr\"odinger equation for the wide…
We obtain analytic solution of the time-independent Schrodinger equation in two dimensions for a charged particle moving in the field of an electric quadrupole. The solution is written as a series in terms of special functions that support…
Full-dimensional (12D) vibrational states of the methanol molecule (CH$_3$OH) have been computed using the GENIUSH-Smolyak approach and the potential energy surface from Qu and Bowman (2013). All vibrational energies are converged better…
Energy levels, wavelengths, magnetic-dipole and electric-quadrupole transition rates between the low-lying states are evaluated for W$^{51+}$ to W$^{54+}$ ions with $3d^n$ (n = 2 to 5) electronic configurations using an approach combining…
The time-dependent Schr\"odinger equation for atomic hydrogen in few-cycle laser pulses is solved numerically. Introducing a positive definite quantum distribution function in energy-position space, a straightforward comparison of the…
In this paper, using a standard quantum chemistry approach based on pseudopotentials for atomic core representation, Gaussian basis sets, and effective core polarization potentials, we investigate the electronic properties of the MgH$^+$…
The ^1{\Sigma}^+ electronic ground states of MgLi^+ and CaLi^+ molecular ions are investigated for their spectroscopic constants and properties such as the dipole- and quadrupole moments, and static dipole polarizabilities. The quadrupole…
Transition wavelengths and rates are given for E1, E2, M1, and M2 transitions between singlet and triplet S, P, D, and F states in heliumlike ions of astrophysical interest: carbon, nitrogen, oxygen, neon, silicon, and argon. All possible…
Selected states of the $EF\ ^1\Sigma_\mathrm{g}^+$ electronic manifold of the hydrogen molecule are computed as resonances of the four-body problem. Systematic improvement of the basis representation for the variational treatment is…
Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals…
We present a new, mathematically rigorous, method suitable for bound state and scattering processes calculations for various three atomic or molecular systems where the underlying forces are of a hard-core nature. We employed this method to…