相关论文: QERaman: An open-source program for calculating re…
Plasmon-enhanced Raman scattering can push single-molecule vibrational spectroscopy beyond a regime addressable by classical electrodynamics. We employ a quantum electrodynamics (QED) description of the coherent interaction of plasmons and…
Electron Raman scattering (ERS) is investigated in a parabolic semiconductor quantum wire in a transverse magnetic field neglecting by phonon-assisted transitions. The ERS cross-section is calculated as a function of a frequency shift and…
Raman spectroscopy is an advantageous method for studying the local structure of materials, but the interpretation of measured spectra is complicated by the presence of oblique phonons in polycrystals of polar materials. Whilst group theory…
In this paper, we first establish a Quasinormal Mode (QNM) solver for open resonators made of materials with general dispersion which can be modeled by partial fractions, and develop the corresponding analytical QNM expansion method (QNMEM)…
Quantum computers are ideal for solving chemistry problems due to their polynomial scaling with system size in contrast to classical computers which scale exponentially. Until now molecular energy calculations using quantum computing…
All electromagnetic systems, in particular resonators or antennas, have resonances with finite lifetimes. The associated eigenstates, also called quasinormal modes, are essentially non-Hermitian and determine the optical responses of the…
The correct numerical calculation of the resonance characteristics and, principally, the quality factor $Q$ of contemporary photonic and plasmonic resonant systems is of utmost importance, since $Q$ defines the bandwidth and affects…
The complex-scaling method can be used to calculate molecular resonances within the Born-Oppenheimer approximation, assuming the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will…
We advance the algorithm for ab initio calculations of Raman spectra for large systems via applying external electric field, and complement it by a code implementation we name RASCBEC. With the RASCBEC code, we have successfully benchmark…
Raman spectroscopy is a widely used, powerful, and nondestructive tool for studying the vibrational properties of bulk and low-dimensional materials. Raman spectra can be simulated using first-principles methods, but due to the high…
Radiative processes, where a photon/neutrino is emitted as a result of a collision or decay of a particle, play a central role in atomic, nuclear and particle physics. Their rate is determined by certain off-diagonal matrix elements with…
Orbital magnetization, a key property arising from the orbital motion of electrons, plays a crucial role in determining the magnetic behavior of molecules and solids. Despite its straightforward calculation in finite systems, the…
A consistent calculation of resonant inelastic (Raman) scattering amplitudes for relatively large quantum dots, which takes account of valence-band mixing, discrete character of the spectrum in intermediate and final states, and…
Raman spectroscopy of crystalline/molecular systems is well backed with quantum chemical calculations and group theory, making it a unique characterization tool. For the "intermediate" case of nanoscale systems, however, the use of Raman…
Raman spectroscopy of graphene is reviewed from a theoretical perspective. After an introduction of the building blocks (electronic band structure, phonon dispersion, electron-phonon interaction, electron-light coupling), Raman intensities…
Stimulated Raman scattering (SRS) is a powerful method for label-free imaging and spectroscopy of materials. Recent experiments have shown that quantum-enhanced Raman scattering can surpass the shot noise limit and improve the sensitivity…
The prediction of spectral properties via linear response (LR) theory is an important tool in quantum chemistry for understanding photo-induced processes in molecular systems. With the advances of quantum computing, we recently adapted this…
A theory of resonant Raman scattering spectroscopy of one dimensional electronic systems is developed on the assumptions that (i) the excitations of the one dimensional electronic system are described by the Luttinger Liquid model, (ii)…
Surface-Enhanced Raman Scattering (SERS) allows for detection and identification of molecular vibrational fingerprints in minute sample quantities. The SERS process can be also exploited for optical manipulation of molecular vibrations. We…
Raman spectroscopy is a well established tool for the analysis of vibration spectra, which then allow for the determination of individual substances in a chemical sample, or for their phase transitions. In the…