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The Raman shift, broadening, and relative Raman intensities of bilayer graphene are computed as functions of the electron concentration. We include dynamic effects for the phonon frequencies and we consider the gap induced in the band…
We present a combined experimental and theoretical study of resonant Raman spectroscopy in single- and triple-layer MoTe$_2$. Raman intensities are computed entirely from first principles by calculating finite differences of the dielectric…
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…
Vibrational properties of inclusion complexes with cyclodextrins are studied by means of Raman spectroscopy and numerical simulation. In particular, Raman spectra of the non-steroidal, anti-inflammatory drug indomethacin undergo notable…
Interaction between plasmonic nanostructures and molecules is modeled based on the concept of quantized optical cavity for surface enhanced Raman scattering process. We have found that the background emission from plasmonic nanostructures…
We introduce a new method for computing spectra of molecules for which a spin-spin term in the Hamiltonian has an important effect. In previous calculations, matrix elements of the spin-spin term and of the potential were obtained by…
We report on room-temperature Raman scattering measurements in few-layer crystals of exfoliated molybdenum ditelluride (MoTe$_{2}$) performed with the use of 632.8 nm (1.96 eV) laser light excitation. In agreement with recent study reported…
To investigate the possibility of measuring the intermolecular and intramolecular anharmonic coupling of balk water, we calculate third-order two-dimensional (2D) infrared (IR) spectra and fifth-order 2D IR-IR-Raman-Raman spectra expressed…
We present a technique for extracting Raman intensities from ab initio molecular dynamics (MD) simulations at high temperature. The method is applied to the highly anharmonic case of dense hydrogen up to 500 K for pressures ranging from 180…
The total electronic Raman scattering spectrum, including the nonresonant, mixed and resonant components, is determined for the charge-density-wave (CDW) phase of the spinless Falicov-Kimball model at half filling within dynamical…
We have employed the method of spectral moments to study the density of vibrational states and the Raman coupling coefficient of large 2- and 3- dimensional percolators at threshold and at higher concentration. We first discuss the over-and…
In the paper, we present theoretical calculations of the cross section for inelastic light scattering by electronic excitations in a quantum dot charged with 42 electrons. The many-electron states involved in the computations are obtained…
We calculate numerically the radiation spectrum from relativistic electrons moving in small scale turbulent magnetic fields expected in high energy astrophysical sources. Such radiation spectrum is characterized by the strength parameter $a…
While many vibrational Raman spectroscopy studies of liquid water have investigated the temperature dependence of the high-frequency O-H stretching region, few have analyzed the changes in the Raman spectrum as a function of temperature…
The transition-matrix ($T$-matrix) approach provides a general formalism to study scattering problems in various areas of physics, including acoustics (scalar fields) and electromagnetics (vector fields), and is related to the theory of the…
Resonant scattering of fast particles off low frequency plasma waves is a major process determining transport characteristics of energetic particles in the heliosphere and contributing to their acceleration. Usually, only Alfv\'en waves are…
We outline a recently developed theory of impedance-matching, or reflectionless excitation of arbitrary finite photonic structures in any dimension. It describes the necessary and sufficient conditions for perfectly reflectionless…
Explicit algebraic expressions for the expansion of the vibrational matrix elements in series of matrix elements on the wave functions of the ground vibrational state have been obtained for arbitrary sufficiently differentiable functions of…
A quantum linear Boltzmann equation is proposed, constructed in terms of the operator-valued dynamic structure factor of the macroscopic system the test particle is interacting with. Due to this operator structure it is a non-Abelian linear…
The spectral properties, momentum dispersion, and broadening of bulk plasmonic excitations of 26 elemental metals are studied from first principles calculations in the random-phase approximation. Spectral band structures are constructed…