Related papers: Linear and Angular Momentum Conservation in Surfac…
Nonadiabatic dynamics methods are an essential tool for investigating photochemical processes. In the context of employing first principles electronic structure techniques, such simulations can be carried out in a practical manner using…
Common time-explicit numerical methods for kinetic simulations of plasmas in the low-collisions limit fall into two classes of algorithms: momentum conserving and energy conserving. Each has certain drawbacks. The PIC algorithm does not…
Spin-momentum locking plays a fundamental role in spintronics and, more broadly, is an important concept in condensed matter physics. In 2D and 3D, spin-momentum locking typically does not allow spin-conservation because the spin-1/2…
We carried out extensive studies to examine the performance of the fewest-switches surface hopping method in the description of the ultrafast intersystem crossing dynamic of various singlet-triplet (S-T) models by comparison with the…
Experiments indicate that collective coupling of molecular ensembles to confined optical modes can modify excited-state dynamics and photochemical reactivity. To describe such cavity-induced effects at atomic resolution, semi-classical…
Exact conservation of the angular momentum is worked out for an elastic medium with spins. The intrinsic anharmonicity of the elastic theory is shown to be crucial for conserving the total momentum. As a result, any spin-lattice dynamics…
Mechanical angular momentum is not conserved in systems involving electromagnetic fields with non-zero electromagnetic field angular momentum. Conservation is restored only if the total (mechanical and field) angular momentum is considered.…
We implement a rare-event sampling scheme for quantifying the rate of thermally-activated nonadiabatic transitions in the condensed phase. Our QM/MM methodology uses the recently developed INAQS package to interface between an elementary…
The coupling between the spin degrees of freedom and the orbital angular momentum has a profound effect on the properties of nuclei, atoms and condensed matter systems. Recently, synthetic gauge fields have been realized experimentally in…
We report on an experiment demonstrating the conservation of orbital angular momentum in stimulated down-conversion. The orbital angular momentum is not transferred to the individual beams of the spontaneous down-conversion, but it is…
It is well-known that electric spin angular momentum and electric orbital angular momentum are conserved under paraxial propagation of travelling waves in free-space. Here we study the electric and magnetic angular momentum in…
Pseudospin symmetry is approximately conserved in nuclei. Normally shell model interactions are written in terms of spin an orbital angular momentum operators, not in terms of pseudospin and pseudo-orbital angular momentum operators. We…
We consider a two-dimensional system of harmonically trapped particles with pseudo-spin-$\frac{1}{2}$ degree of freedom. This degree of freedom is coupled to the particle's momentum via the so-called Rashba spin-orbit interaction. We…
We use the image solution technique to compute the leading order frequency-dependent self-mobility function of a small solid particle moving perpendicular to the surface of a spherical capsule whose membrane possesses shearing and bending…
We propose a surface hopping Gaussian beam method to numerically solve a class of high frequency linear transport systems in high spatial dimensions, based on asymptotic analysis. The stochastic surface hopping is combined with Gaussian…
Highly symmetric magnetic environments have been suggested to stabilize the magnetic information stored in magnetic adatoms on a surface. Utilized as memory devices such systems are subjected to electron tunneling and external magnetic…
We adapt the simulated annealing algorithm to the search of periodic orbits for classical multi-electron atomic systems. This is done by minimizing the n-th return distance to the initial position on a Poincare surface of section under an…
Non-Hermitian (NH) quantum systems host exceptional points (EPs), where eigenstates and eigenvalues coalesce, leading to unconventional many-body phenomena absent in Hermitian systems. While NH fermionic systems with complex interactions…
Quantum orbital selective Mott (OSM) transitions are investigated within dynamical mean-field theory based on a two-orbital Hubbard model with different bandwidth at half filling. We find two distinct OSM phases both showing coexistence of…
We show that a phase space electronic Hamiltonian $\hat{H}_{PS}(\mathbf{X},\mathbf{P})$, parameterized by both nuclear position $\mathbf{X}$ and momentum $\mathbf{P}$, can recover not just experimental vibrational circular dichroism (VCD)…