相关论文: The rotating Morse potential model for diatomic mo…
Due to one of the most representative contributions to the energy in diatomic molecules being the vibrational, we consider the generalized Morse potential (GMP) as one of the typical potential of interaction for one-dimensional microscopic…
Peculiarities of the intermolecular rovibrational quantum dynamics of the methane-argon complex are studied using a new, ab initio potential energy surface [Y. N. Kalugina, S. E. Lokshtanov, V. N. Cherepanov, and A. A. Vigasin, J. Chem.…
In molecular reactions at the microscopic level the appearance of resonances has an important influence on the reactivity. It is important to predict when a bound state transitions into a resonance and how these transitions depend on…
We present a computer program to calculate the quantised rotational and hyperfine energy levels of $^{1}\Sigma $ diatomic molecules in the presence of dc electric, dc magnetic, and off-resonant optical fields. Our program is applicable to…
The Riccati-type nonlinear differential equation, also known as the Variable Phase Approach or Phase Function Method, is used to construct local inverse potentials for the \( ^3S_1 \) and \( ^1S_0 \) states of the deuteron. The Morse…
The relation between the R- and P-matrix approaches and the harmonic oscillator representation of the quantum scattering theory (J-matrix method) is discussed. We construct a discrete analogue of the P-matrix that is shown to be equivalent…
We have implemented a three-dimensional finite element approach, based on tricubic polynomials in spherical coordinates, which solves the Schrodinger equation for scattering of a low energy electron from a molecule, approximating the…
We find theoretical results on energy eigenvalues and corresponding supersymmetric Hamiltonians reflect contradictory behavior for negative values of A. furthermore the resulting supersymmetric partners potentials can be model scattering…
We discuss the dynamics of a charged nonrelativistic particle in electromagnetic field of a rotating magnetized celestial body. The equations of motion of the particle are obtained and some particular solutions are found. Effective…
We propose a deterministic particle method for a one-dimensional nonlocal equation with interactions through the repulsive Morse potential. We show that the particle method converges as the number of particles goes to infinity towards weak…
In this article, the interaction of an arbitrary number of quantum dots, behaving as artificial molecules, with different energy levels and multi-mode electromagnetic field is studied. We make the assumption that each quantum dot can be…
Approximate bound state solutions of the Dirac equation with -deformed Woods-Saxon plus a new generalized ring-shaped potential are obtained for any arbitrary L-state. The energy eigenvalue equation and corresponding two-component wave…
It is shown that the spectral points (bound states and resonances) generated by a central potential of a single-channel problem, can be found using rational parametrization of the S-matrix. To achieve this, one only needs values of the…
Electron collisions with O$_2$ at scattering energies below 1 eV are studied in the fixed-nuclei approximation for a range of internuclear separations using the ab initio molecular R-matrix method. The $^2\Pi_g$ scattering eigenphases and…
The interaction of a diatomic molecule with photons carrying well-defined angular momentum and parity is investigated to determine whether photon absorption can induce molecular rotational transitions between states having angular momentum…
The construction of rationally-extended Morse potentials is analyzed in the framework of first-order supersymmetric quantum mechanics. The known family of extended potentials $V_{A,B,{\rm ext}}(x)$, obtained from a conventional Morse…
A new approach is described to the evaluation of the S-matrix in three-dimensional atom-diatom reactive quantum scattering theory. The theory is developed based on natural collision coordinates where progress along the reaction coordinate…
The relativistic J-matrix is investigated in the case of Coulomb-free scattering for a general short-range spin-dependent perturbing potential and in two different L2 bases. The resulting recursion relation of the reference problem, in this…
We lift the constraint of a diagonal representation of the Hamiltonian by searching for square integrable bases that support a tridiagonal matrix representation of the wave operator. Doing so results in exactly solvable problems with a…
We describe in detail the implementation of the relativistic three-neutron finite-volume quantization condition derived in Ref. [1]. In particular, we show how the complications due to Wigner rotations acting on spins are included, and…