Related papers: Nonadiabatic corrections to rovibrational levels o…
A classical microscopic theory of rovibrational motion at high angular momenta in symmetrical non-linear molecules AB$_2$ is derived within the framework of small oscillations near the stationary states of a rotating molecule. The…
We develop a unified theory for the nonadiabatic wave-packet dynamics of Bloch electrons subject to slowly varying spatial and temporal perturbations. Extending the conventional wave-packet ansatz to include interband contributions, we…
Avoided crossings of level pairs with opposite slopes can form potential energy curves for the external degree of freedom of quantum particles. We investigate nonadiabatic decay of metastable states on such avoided crossings (MSACs) using…
It is shown that: the analytical solution of the stationary Schrodinger equation for diatomic molecules with the shifted Tietz-Wei potential, which was reported in the paper Exact and Poisson summation thermodynamic properties for diatomic…
A general theoretical framework is derived for the recently developed multi-state trajectory (MST) approach from the time dependent Schr\"odinger equation, resulting in equations of motion for coupled nuclear-electronic dynamics equivalent…
The rotational constant parametrizes the relative spacing between a molecule's rotational energy levels. It depends on the molecule's classical moments of inertia, which, in all studies, are expressed by treating the constituent nuclei as…
While the hydrogen molecular ion is the simplest molecule in nature and very well studied in all of its properties, it remains an interesting system to use for explorations of fundamental questions. One such question treated in this study…
New cross sections for the rotational excitation of H$_3^+$ by electrons are calculated {\it ab initio} at low impact energies. The validity of the adiabatic-nuclei-rotation (ANR) approximation, combined with $R$-matrix wavefunctions, is…
With the aim of describing real-time electron dynamics, we introduce an adiabatic approximation for the equation of motion of the one-body reduced-density matrix (one-matrix). The eigenvalues of the one-matrix, which represent the…
An analytical representation for the potential energy curve for the ground state $X^1\Sigma^+$ of the hydrogen fluoride molecule (HF) is presented in the frame of the Born-Oppenheimer approximation. The analytical expression for the…
This work presents a study on the nonrelativistic quantum motion of a charged particle in a rotating frame, considering the Aharonov-Bohm effect and a uniform magnetic field. We derive the equation of motion and the corresponding radial…
In radiation damage cascade displacement spikes ions and electrons can reach very high temperatures and be out of thermal equilibrium. Correct modelling of cascades with molecular dynamics should allow for the non-adiabatic exchange of…
We carry out a complete derivation on nonrelativistic energies of atomic Rydberg states, including finite nuclear mass corrections. Several missing terms are found and a discrepancy is confirmed in the works of Drachman [in Long Range…
We discuss bounds for nonadiabatic transitions from the viewpoints of the adiabatic perturbation theory and the quantum speed limit. We show that the amount of nonadiabatic transitions from the $n$th level to the $m$th level is bounded by a…
We study the tunneling mechanism of nonlinear optical processes in solids induced by strong coherent laser fields. The theory is based on an extension of the Landau-Zener model with nonadiabatic geometric effects. In addition to the…
We present arguments demonstrating that the application of the Nikiforov-Uvarov polynomial method to solve the Schr\"odinger equation with the Tietz-Hua potential is valid only when $e^{-b_{h}r_{e}}\leq c_{h}<1$ and $r_{0}<r<+\infty $. In…
In this work we solve the Schr\"odinger equation for Bohr Hamiltonian with Coulomb and Hulth\'en potentials within the formalism of minimal length in order to obtain analytical expressions for the energy eigenvalues and eigenfunctions by…
General expressions for the breakup cross sections in the lab frame for $1+2$ reactions are given in terms of the hyperspherical adiabatic basis. The three-body wave function is expanded in this basis and the corresponding hyperradial…
Several misprints and small mistakes were in the initial version. They have been corrected. Following the recent experimental realization of synthetic gauge magnetic forces, Jean Dalibard adressed the question whether the adiabatic ansatz…
A new methodology of simulating nonadiabatic dynamics using frozen-width Gaussian wavepackets within the moving crude adiabatic representation with the on-the-fly evaluation of electronic structure is presented. The main feature of the new…