Related papers: How Large are Nonadiabatic Effects in Atomic and D…
We review mathematical results concerning exponentially small corrections to adiabatic approximations and Born--Oppenheimer approximations.
Energy transfer during molecular collisions on metal surfaces plays a pivotal role in a host of critical interfacial processes. Despite significant efforts, our understanding of relevant energy transfer mechanisms, even in an…
In the nonrelativistic many-electron approximation of the theory of photoionization of the atom in the formalism of secondary quantization and the theory of irreducible tensor operators, analytical structures for the quadrupole transition…
We present an alternative, univocal characterization of the continuous transition from atomic to molecular shape in the Coulomb system constituted by two identical particles and a third particle with the opposite charge, as the mass ratio…
A generalized approach of the Born-Oppenheimer approximation is developed to analytically deal with the influence exercised by the spatial motion of atom's mass-center on a two-level atom in an optical ring cavity with a quantized…
We study the important for the experiment features of the effect of the electron shell on alpha decay in the adiabatic approach. The effect is of tenths of a percent or less in magnitude, depending on the transition energy and the atomic…
High magnetic fields in neutron stars, B ~ 10^{11} - 10^{13} G, substantially modify the properties of atoms and their interaction with radiation. In particular, the photoionization cross section becomes anisotropic and strongly…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
We consider atoms or molecules coupled to the quantized electromagnetic radiation field in a dipole approximation. We show the existence of ground states and resonance states in situations where the eigenvalues are degenerate and protected…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
In this paper we propose an ab initio method to solve quantum many-body problems of molecular dynamics where both the electronic and the nuclear degrees are represented by ensembles of trajectories and guiding waves in physical space. Both…
We identify significant quantum many-body effects, robust to position fluctuations and strong dipole--dipole interactions, in the forward light scattering from planar arrays and uniform-density disks of cold atoms, by comparing stochastic…
A general quantum adiabatic theorem with and without the time-dependent orthogonalization is proven, which can be applied to understand the origin of activation energies in chemical reactions. Further proofs are also developed for the…
We clarify the role of non-adiabatic effects in a quantum pumping for a spin-boson system. When we sinusoidally control the temperatures of two reservoirs with \pi/2 phase difference, we find that the pumping current strongly depends on the…
A self-contained and tutorial presentation of the diffusion Monte Carlo method for determining the ground state energy and wave function of quantum systems is provided. First, the theoretical basis of the method is derived and then a…
In the context of inhomogeneous one-dimensional finite systems, recent numerical advances [Phys. Rev. B 103, 125155 (2021)] allow us to compute the exact coupling-constant dependent exchange-correlation kernel…
The molecular junction geometry is modelled in terms of nuclear degrees of freedom that are embedded in a stochastic quantum environment of non-equilibrium electrons. Time-evolution of the molecular geometry is governed via a mean force, a…
We calculate exactly, using finite size techniques, the quantum mechanical and many-body effects to the self-capacitance of a spherical quantum dot in the regime of extreme confinement, where the radius of the sphere is much smaller than…
We investigate the quantum effects, in particular the Landau-level quantization, in the scattering of a particle the nonadiabatic classical dynamics of which is governed by an adiabatic invariant. As a relevant example, we study the…
The Born-Oppenheimer (BO) approximation is less accurate in the presence of a strong magnetic field than in the absence of a field. This is due to the complicated and unpredictable response of electronic structure to the field, especially…