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Structure, function and dynamics of many biomolecular systems can be characterized by the energetic variational principle and the corresponding systems of partial differential equations (PDEs). This principle allows us to focus on the…
Selection rules and interference effects in angle resolved photoemission spectra from twisted graphene bilayers are studied within a long wavelength theory for the electronic structure. Using a generic model for the interlayer coupling, we…
The biological effects of electromagnetic fields on proteins remain controversial beyond well-established thermal mechanisms, particularly with respect to frequency-dependent responses. Here, we propose that electromagnetic waves can…
Potential energy surfaces of electron dynamics (ePES) are constructed from a model of localized electron wave packets (eWP) with non-orthogonal valence-bond (VB) spin coupling and applied to quantum dynamics simulations of high harmonic…
Recently discovered materials called three-dimensional topological insulators constitute examples of symmetry protected topological states in the absence of applied magnetic fields and cryogenic temperatures. A hallmark characteristic of…
We present a first-principles-based multiscale simulation framework for quantitative predictions of the high-energy part of the Ultraviolet Photoelectron Spectroscopy (UPS) spectra of amorphous molecular solids. The approach combines a…
The extended $\gamma$-ray halos around pulsars are unique probe of transportation of high-energy electrons (and positrons) in vicinities of such pulsars. Observations of morphologies of several such halos indicate that particles diffuse…
In the past decade, photoemission orbital tomography (POT) has evolved into a powerful tool to investigate the electronic structure of organic molecules adsorbed on surfaces. Here we show that POT allows for the comprehensive experimental…
Reflection electron energy loss spectroscopy (EELS) in specular and off specular geometry has been employed to study the early stage of the copper phthalocyanine (CuPc) growth on Al (100) substrate. EEL spectroscopy has been a useful tool…
Effects of coupling between an molecular exciton and a surface plasmon (exciton-plasmon coupling) on the luminescence properties of the molecule and the surface plasmons are investigated using nonequilibrium Green's function method.…
We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a…
Condensed-phase spectral line shapes encode the strength and timescale of interactions between molecules and their environments, yet these ideas are often difficult to introduce at the undergraduate level due to their reliance on formal…
We have developed a spin-resolved resonant electron energy-loss spectroscopy (SR-rEELS) in the primary energy of 0.3--1.5 keV, which corresponds to the core excitations of $2p$-$3d$ absorption of transition metals and $3d$-$4f$ absorption…
We combine ab-initio calculations based on many-body perturbation theory and the cumulant expansion with angle-resolved photoemission spectroscopy (ARPES) to quantify the electron-plasmon interaction in the highly-doped semiconducting…
We review a number of experimental techniques that are beginning to reveal fine details of the bosonic spectrum \alpha^2F(\Omega) that dominates the interaction between the quasiparticles in high temperature superconductors. Angle-resolved…
We use angle-resolved photo-emission spectroscopy (ARPES) to explore the electronic structure of single crystals of FeSe over a wide range of binding energies and study the effects of strong electron-electron correlations. We provide…
Coherent spin resonance methods, such as nuclear magnetic resonance and electron spin resonance spectroscopy, have led to spectrally highly sensitive, non-invasive quantum imaging techniques. Here, we propose a pump-probe spin resonance…
Adsorption of organic molecules on well-oriented single crystal coinage metal surfaces fundamentally affects the energy distribution curve of ultra-violet photoelectron spectroscopy spectra. New features not present in the spectrum of the…
We investigate the coupling of an inhomogeneous electron system to phonons. The properties of an electronic system composed of a mixture of microscopic ordered and disordered islands are changed fundamentally by a phonon mode. In high-Tc…
Photophysical aggregates are ubiquitous in many solid-state microstructures adopted by conjugated polymers, in which $\pi$ electrons interact with those in other polymer chains or those in other chromophores along the chain. These…