Related papers: Nonadiabatic corrections to rovibrational levels o…
Incorporating nuclear quantum effects into nonadiabatic dynamics remains a significant challenge. Herein we introduce new nonadiabatic dynamics approaches based on the recently developed constrained nuclear-electronic orbital (CNEO) theory.…
We show that nuclear motion of Rydberg atoms can be induced by resonant dipole-dipole interactions that trigger the energy transfer between two energetically close Rydberg states. How and if the atoms move depends on their initial…
The rovibrational electric dipole transitions in the ground electronic state of the HD molecule are studied. A simple, yet rigorous formula is derived for the transition rates in terms of the electric dipole moment function $D(R)$, which is…
Dynamics of neutral atoms in nonuniform magnetic fields, typical of quadrupole magnetic traps, is considered by applying an accurate method for solving nonlinear systems of differential equations. This method is more general than the…
We study the quantum dynamics of diatomic molecule driven by a circularly polarized resonant electric field. We look for a quantum effect due to classical chaos appearing due to the overlapping of nonlinear resonances associated to the…
While the treatment of conical intersections in molecular dynamics generally requires nonadiabatic approaches, the Born-Oppenheimer adiabatic approximation is still adopted as a valid alternative in certain circumstances. In the context of…
We present calculations for the action of laser pulses on vibrational transfer within the H2+ and Na2 molecules in the presence of dissipation due to photodissociation of the molecule. The laser fields perform closed loops surrounding…
The decay of Rydberg-atom-ion molecules (RAIMs) due to non-adiabatic couplings between electronic potential energy surfaces is investigated. We employ the Born-Huang representation and perform numerical simulations using a Crank-Nicolson…
We present an approach for carrying out non-adiabatic molecular dynamics simulations of systems in which non-adiabatic transitions arise from the coupling between the classical atomic motions and a quasi-continuum of electronic quantum…
Nonadiabatic ring-polymer molecular dynamics employs the mapping approach to describe nonadiabatic effects within the ring-polymer ansatz. In this paper, it is generalized to allow for the nuclear and electronic degrees of freedom to be…
The interaction between electronic and vibrational degrees of freedom in single-molecule junctions may result from the dependence of the electronic energies or the electronic states of the molecular bridge on the nuclear displacement. The…
Exact solutions for vibrational levels of diatomic molecules via the Morse potential are obtained by means of the asymptotic iteration method. It is shown that, the numerical results for the energy eigenvalues of $^{7}Li_{2}$ are all in…
In a time-orbiting-potential magnetic trap the neutral atoms are confined by means of an inhomogeneous magnetic field superimposed to an uniform rotating one. We perform an analytic study of the atomic motion by taking into account the…
Using the hyperspherical adiabatic method with the realistic nuclear potentials Argonne V14, Argonne V18, and Argonne V18 with the Urbana IX three-body potential, we calculate the adiabatic potentials and the triton bound state energies. We…
Nonadiabatic geometric quantum computation provides a means to perform fast and robust quantum gates. It has been implemented in various physical systems, such as trapped ions, nuclear magnetic resonance and superconducting circuits.…
After analyzing Dirac's equation, one can suggest that a well-known quantum-mechanical momentum operator is associated with relativistic momentum, rather than with non-relativistic one. Consideration of relativistic energy and momentum…
In order to interpret precise measurements of molecular properties the finite nuclear mass corrections to the Born-Oppenheimer approximation have to be accounted for. It is shown that they can be obtained systematically in the perturbative…
The utility of the non-relativistic large-charge EFT for physical systems, and neutron matter in particular, relies on controlled Schr\"odinger-symmetry breaking deformations due to scattering length and effective-range effects in the…
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…
The non-relativistic energy levels of ortho-positronium are calculated in the quadrupole and octupole approximations for the interaction potential. For this purpose, the RST eigenvalue problem of angular momentum is illustratively solved…