相关论文: Representation and Conservation of Angular Momentu…
We demonstrate (both analytically and numerically) total angular momentum conservation for a molecular system subject to circularly polarized light (CPL) field moving along a single Born-Oppenheimer surface, where all of the angular…
We prove both analytically and numerically that the total angular momentum of a molecular system undergoing adiabatic Born-Oppenheimer dynamics is conserved only when pseudo-magnetic Berry forces are taken into account. This finding sheds…
In pre-Born-Oppenheimer (pre-BO) theory a molecule is considered as a quantum system as a whole, including the electrons and the atomic nuclei on the same footing. This approach is fundamentally different from the traditional quantum…
We develop a phase-space electronic structure theory of molecules in magnetic fields. For a system of electrons in a magnetic field with vector potential $\bf{A}(\hat{\bf{r}})$, the usual Born-Oppenheimer Hamiltonian is the sum of the…
The well-known issue with the absence of conservation of angular momentum in classical particle systems with periodic boundary conditions is addressed. It is shown that conventional theory based on Noether's theorem fails to explain the…
We study a general problem of the translational/rotational/vibrational/electronic dynamics of a diatomic molecule exposed to an interaction with an arbitrary external electromagnetic field. The theory developed in this paper is relevant to…
There are confusions about angular momentum propagation in scattering or decay processes involving the transition between particle systems that appear to transform differently under Lorentz transformations. This paper provides an analysis…
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we also need to assign masses to the nuclei. There, the…
We analyze the quantum states of two atoms in a combined harmonic oscillator and periodic lattice trap in one spatial dimension. In the case of tight-binding and only nearest neighbor tunneling, the equations of motion are conveniently…
We analyze the entanglement between electronic and nuclear motions in molecular wave functions, by using different widely used ansatzes in molecular Hamiltonian models (H$^+_2$ in 1D and the Shin-Metiu model); namely, i) Born-Oppenheimer…
Conservation principles are essential to describe and quantify dynamical processes in all areas of physics. Classically, a conservation law holds because the description of reality can be considered independent of an observation…
The physics involved in the fundamental conservation equations of the spin and orbital angular momenta leads to new laws and phenomena that I disclose. To this end, I analyse the scattering of an electromagnetic wavefield by the canonical…
The main motivation for this work is the exploration of rotational-vibrational states corresponding to electronic excitations in a pre-Born-Oppenheimer quantum theory of molecules. These states are often embedded in the continuum of the…
A simple, and elegant geometrical representation is developed to describe the concept of coherence and squeezing for angular momentum operators. Angular momentum squeezed states were obtained by applying Bogoliubov transformation on the…
We apply the Born--Oppenheimer approximation to a harmonic diatomic molecule with one electron. We compare the exact and approximate results not only for the internal degrees of freedom but also for the motion of the center of mass. We…
Transport through molecular contacts with a sluggish intramolecular vibrational mode strongly coupled to excess charges is studied far from equilibrium. A Born-Oppenheimer approximation in steady state reveals voltage dependent energy…
We present a theory describing interaction of structured light, such as light carrying orbital angular momentum, with molecules. The light-matter interaction Hamiltonian we derive is expressed through couplings between spherical gradients…
Lorentz's reciprocity lemma and Feld-Tai reciprocity theorem show the effect of interchanging the action and reaction in Maxwell's equations. We derive a free-space version of these reciprocity relations which generalizes the conservation…
We ask the question of how angular momentum is conserved in electroweak interaction processes. To introduce the problem with a minimum of mathematics, we first raise the same issue in elastic scattering of a circularly polarized photon by…
In our previous paper [J. Chem.Phys. {\bf 137}, 22A544 (2012)] we argued that the Born-Oppenheimer approximation could not be based on an exact transformation of the molecular Schr\"{o}dinger equation. In this Comment we suggest that the…