Related papers: A Reciprocal-Space Formulation of Surface Hopping
Flat bands are intriguing platforms for correlated and topological physics. Various methods have been developed to create flat bands utilizing lattice geometry, but the investigation of orbital symmetry in multiorbital materials is a new…
Recent advance in quantum simulations of interacting photons using superconducting circuits offers opportunities for investigating the Bose-Hubbard model in various geometries with hopping coefficients and self-interactions tuned to both…
To realize band structures with non-trivial topological properties in an optical lattice is an exciting topic in current studies on ultra cold atoms. Here we point out that this lofty goal can be achieved by using a simple scheme of shaking…
Motivated by the recent experimental realizations of hyperbolic lattices in circuit quantum electrodynamics and in classical electric-circuit networks, we study flat bands and band-touching phenomena in such lattices. We analyze…
Associative memory Hamiltonian structure prediction potentials are not overly rugged, thereby suggesting their landscapes are like those of actual proteins. In the present contribution we show how basin-hopping global optimization can…
The need to Fourier transform data sets with irregular sampling is shared by various domains of science. This is the case for example in astronomy or sismology. Iterative methods have been developed that allow to reach approximate…
Intersystem crossing is a radiationless process that can take place in a molecule irradiated by UV-Vis light, thereby playing an important role in many environmental, biological and technological processes. This paper reviews different…
We study longitudinal and transverse wave propagation in beams with elastic properties that are periodically varying in space and time. Spatiotemporal modulation of the elastic properties breaks mechanical reciprocity and induces one-way…
Hopping transport in a one-dimensional system is studied numerically. A fast algorithm is devised to find the lowest-resistance path at arbitrary electric field. Probability distribution functions of individual resistances on the path and…
It is widely accepted that topological quantities are useful to describe quantum liquids in low dimensions. The (spin) Hall conductances are typical examples. They are expressed by the Chern numbers, which are topological invariants given…
We investigate the resonance spectrum of the H\'enon-Heiles potential up to twice the barrier energy. The quantum spectrum is obtained by the method of complex coordinate rotation. We use periodic orbit theory to approximate the oscillating…
To accelerate the thermal equilibrium sampling of multi-level quantum systems, the infinite swapping limit of a recently proposed multi-level ring polymer representation is investigated. In the infinite swapping limit, the ring polymer…
The topology of the electronic band structure of solids can be described by its Berry curvature distribution across the Brillouin zone. We theoretically introduce and experimentally demonstrate a general methodology based on the measurement…
The electronic quasiparticle structure of a ferromagnetic local moment film is investigated within the framework of the s-f model. For the special case of a single electron in an otherwise empty energy band being exchange coupled to a fully…
This conference talk elaborates on a recently discovered mapping procedure by which classical orbits and path integrals for the motion of a point particle in flat space can be transformed correctly into those in curved space. This procedure…
This paper presents a method for the approximation of harmonic potentials that combines downward continuation of globally available data on a sphere $\Omega_R$ of radius $R$ (e.g., a satellite's orbit) with locally available data on a…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…
We consider an active Brownian particle in a $d$-dimensional harmonic trap, in the presence of translational diffusion. While the Fokker-Planck equation can not in general be solved to obtain a closed form solution of the joint distribution…
Magnetism and spin physics are true quantum mechanical effects and their description usually requires multi reference methods and is often hidden in the standard description of molecules in quantum chemistry. In this work we present a…
A rapid algorithm is derived for the Helmholtz--Hodge decomposition on the surface of the sphere in spherical coordinates. The algorithm uncouples modes of spherical harmonics with different absolute order, writes the conversion as…