Related papers: Total Angular Momentum Conservation in Ab Initio B…
Systematic effects caused by the Berry (geometric) phases in an electric-dipole-moment experiment in an all-electric storage ring are considered. We analyze the experimental setup when the spin is frozen and local longitudinal and vertical…
The Berry curvature is a geometrical property of an energy band which acts as a momentum space magnetic field in the effective Hamiltonian describing single-particle quantum dynamics. We show how this perspective may be exploited to study…
We show that the Berry force as computed by an approximate, mean-field electronic structure can be meaningful if properly interpreted. In particular, for a model Hamiltonian representing a molecular system with an even number of electrons…
We discuss a thought experiment where two operators, Alice and Bob, perform transverse spin measurements on a quantum system; this system is initially in a double Fock spin state, which extends over a large distance in space so that the two…
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…
Light-matter interactions are governed by conservation laws of energy and momentum. For harmonic generation in crystalline solids, energy conservation imposes that $m$ incoming photons with energy $\hbar \omega_0$ are combined to form one…
The Berry curvature is a geometrical property of an energy band which can act as a momentum space magnetic field in the effective Hamiltonian of a wide range of systems. We apply the effective Hamiltonian to a spin-1/2 particle in two…
Born-Oppenheimer dynamics is shown to provide an accurate approximation of time-independent Schr\"odinger observables for a molecular system with an electron spectral gap, in the limit of large ratio of nuclei and electron masses, without…
We analytically calculate the electronic friction tensor for a molecule near a metal surface in the case that the electronic Hamiltonian is complex-valued, e.g. the case that there is spin-orbit coupling and/or an external magnetic field.…
The dynamics of the spin-orbit interaction in atomic hydrogen are studied in a classical electrodynamics-like setting. A Rutherfordian atomic model is used assuming a circular electron orbit, without the quantum principle as imposed…
The selection rule on vibronic angular momentum of $t_{1u}^n \otimes h_g$ Jahn-Teller problem ($n = $ 1-5) is reinvestigated. It is shown that among three adiabatic orbitals only two have nonzero Berry phase. Thus, the Berry phase of…
The angular momentum is conserved in fluids with a few exceptions such as ferrofluids. However it can be violated locally in fluid simulations to reduce computational costs. The effects of this violation are investigated using a…
The effect of the transversality condition on the quantization of the photon orbital angular momentum is studied. The quantum gauge that is deduced from the transversality condition is shown to be a Berry gauge. It determines a…
In presence of gravitational radiation, the notion of angular momentum of an isolated system acquires an infinite dimensional supertranslation ambiguity. This fact has been emphasized in the mathematical general relativity literature over…
By considering an extended double-exchange model with spin-orbit coupling (SOC), we derive a general form of the Berry phase $\gamma$ that electrons pick up when moving around a closed loop. This form generalizes the well-known result valid…
According to the conservation of angular momentum, when a plane-wave polarized photon splits into a pair of electron-positron under the influence of the Coulomb field, the spin angular momentum (SAM) of the photon is converted into 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 consider propagation of a paraxial beam carrying the spin angular momentum (polarization) and intrinsic orbital angular momentum (IOAM) in a smoothly inhomogeneous isotropic medium. It is shown that the presence of IOAM can dramatically…
In conventional \textit{ab initio} methodologies, phonons are calculated by solving equations of motion involving static interatomic force constants and atomic masses. The Born-Oppenheimer approximation, where all electronic degrees of…
We present a time-reversible Born-Oppenheimer molecular dynamics scheme, based on self-consistent Hartree-Fock or density functional theory, where both the nuclear and the electronic degrees of freedom are propagated in time. We show how a…