Related papers: Quasi-classical simulations of resonance Raman spe…
The preparation of pure quantum states with high degrees of macroscopicity is a central goal of ongoing experimental efforts to control quantum systems. We present a state preparation protocol which renders a mechanical oscillator with an…
Noise in quantum operations often negates the advantage of quantum computation. However, most classical simulations of quantum computers calculate the ideal probability amplitudes either storing full state vectors or using sophisticated…
We expand iterative numerically-exact influence functional path-integral tools and present a method capable of following the nonequilibrium time evolution of subsystems coupled to multiple bosonic and fermionic reservoirs simultaneously.…
We develop a semi-classical approximation to electron spin resonance in quantum spin systems, based on the rotor or non-linear sigma model. The classical time evolution is studied using molec- ular dynamics while random initial conditions…
Bifurcations of classical orbits introduce divergences into semiclassical spectra which have to be smoothed with the help of uniform approximations. We develop a technique to extract individual energy levels from semiclassical spectra…
Vibrational wavepacket dynamics in the ground (X) and excited (B) electronic states of iodine under impulsive-pump/broadband-probe excitation are revisited. A method for accurate chirp correction, necessary to determine the zero time for…
We investigate (a) spontaneous Raman scattering of classical signals in long optical fiber links leading to significant Raman noise in quantum channels propagating in the same fiber and (b) impact of chromatic dispersion on the performance…
A comparative analysis of two Raman line-shape functions has been carried out to validate the true representation of experimentally observed Raman scattering data for semiconducting nanomaterials. A modified form of already existing phonon…
Raman optical activity spectra of $\Lambda$-tris-(ethylenediamine)-rhodium(III) ([Rh(en)$_3$]$^{3+}$) have been calculated at 16 on-, near-, and off-resonant wavelengths between 290 nm and 800 nm. The resulting spectra are analyzed in…
Generating large-scale samples of stationary random fields is of great importance in the fields such as geomaterial modeling and uncertainty quantification. Traditional methodologies based on covariance matrix decomposition have the…
We demonstrate that a mean field approximation can be confidently employed in quasiperiodic moir\'e systems to treat interactions and quasiperiodicity on equal footing. We obtain the mean field phase diagram for an illustrative…
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…
We present a complete derivation of the semiclassical limit of the coherent state propagator in one dimension, starting from path integrals in phase space. We show that the arbitrariness in the path integral representation, which follows…
We formulate a simple harmonic mean-field model with N+1 particles and analyse the relaxation processes following a jump of one of these particles. Either the particle can jump back (single-particle route) or the other N particles adjust…
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…
Confocal Raman microscopy offers a particular pathway for monitoring chemical "fingerprints" of intracellular components like the cell membrane, organelles, and nucleus. Nevertheless, conventional Raman acquisitions of fixed or randomly…
We have simulated the ground states of quantum harmonic oscillators driven either by constant forces of different magnitudes or time-dependent driving forces. The expectation values of position for various combinations of mass, natural…
This work presents recent the progress in the development of the Concurrent Atomistic-Continuum (CAC) method for coarse-grained space- and time-resolved atomistic simulations of phonon transport. Application examples, including heat pulses…
The semiclassical approximation to the coherent state propagator requires complex classical trajectories in order to satisfy the associated boundary conditions, but finding these trajectories in practice is a difficult task that may…
The simulation of spectroscopic observables for molecular aggregates with strong and structured coupling of electronic excitation to vibrational degrees of freedom is an important but challenging task. The hierarchy of pure states (HOPS)…