Related papers: Interface originated modification of electron-vibr…
Photophysical and photochemical processes are ruled by the interplay between transient vibrational and electronic degrees of freedom, which are ultimately determined by the multidimensional potential energy surfaces (PESs). Differences…
We investigate the kinetic-energy spectrum of electrons emitted from an excited many-electron system, often called photo-electron spectrum (PES). We are particularly interested on the impact of resonant modes of the system on PES. To this…
We analyze Photo-Electron Spectra (PES) for a variety of excitation mechanisms from a simple mono-frequency laser pulse to involved combination of pulses as used, e.g., in attosecond experiments. In the case of simple pulses, the peaks in…
We investigate the role of electronic-vibrational coupling in resonant electron transport through single-molecule junctions, taking into account that the corresponding coupling strengths may depend on the charge and excitation state of the…
The structure and dynamics of a molecular system is governed by its potential energy surface (PES), representing the total energy as a function of the nuclear coordinates. Obtaining accurate potential energy surfaces is limited by the…
Probing optical excitations with high resolution is important for understanding their dynamics and controlling their interaction with other photonic elements. This can be done using state-of-the-art electron microscopes, which provide the…
Spin-resolved photoelectron spectroscopy (PES) is a major experimental probe of chirality-induced spin selectivity (CISS), yet it remains unclear whether the measured spin polarization reflects molecular chirality itself or the broader…
After an extended introduction, the thesis considers the electronic properties of BSCCO and the recent progress in understanding the electronic structure of this material. The main result of this part of the work is a model of the Green's…
A quantum-mechanical model to calculate the electron energy-loss spectra (EELS) for the system of a closely located metallic nanoshell and a molecule has been developed. At the resonance between the molecular excitation and plasmon modes in…
The influence of vibrational motion on electron conduction through single molecules bound to metal electrodes is investigated employing first-principles electronic-structure calculations and projection-operator Green's function methods.…
We theoretically study the process of photoelectron emission of the Helium atom by a high-intensity short-wavelength laser at a resonance condition of the residual singly charged ion. Photoionization followed by strong resonance coupling in…
We report on a theoretical study of the influence of electron-electron interactions on ARPES spectra in graphene that is based on the random-phase-approximation and on graphene's massless Dirac equation continuum model. We find that level…
Electronic phase behavior in correlated-electron systems is a fundamental problem of condensed matter physics. We argue here that the change in the phase behavior near the surface and interface, i.e., {\em electronic reconstruction}, is the…
This is the first in a series of two papers investigating the effect of electron-phonon coupling in two-dimensional Fourier transformed electronic spectroscopy. We present a series of one- and two-dimensional nonlinear spectroscopic…
The way molecules absorb, transfer, and emit light can be modified by coupling them to optical cavities. The extent of the modification is often defined by the cavity-molecule coupling strength, which depends on the number of coupled…
Resonant photoluminescence excitation (RPLE) spectra of a neutral InGaAs quantum dot show an unconventional line-shape that depends on the detection polarization. We characterize this phenomenon by performing polarization-dependent RPLE…
Recently developed electronic pre-resonance stimulated Raman scattering (epr-SRS) microscopy, in which the Raman signal of a dye is significantly boosted by setting the incident laser frequency near the electronic excitation energy, has…
A deep understanding of molecular photo-transformations is challenging because of the complex interaction between the configurations of electrons and nuclei. An initial optical excitation dissipates energy into electronic and structural…
Core level binding energies and absorption edges are at the heart of many experimental techniques concerned with element-specific structure, electronic structure, chemical reactivity, elementary excitations and magnetism. X-ray…
The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the…