Related papers: An Extended Mixed Quantum/Classical Approach for Q…
Light scattered by a regular structure of atoms can exhibit interference signatures, similar to the classical double-slit. These first-order interferences, however, vanish for strong light intensities, restricting potential applications.…
Second-harmonic scattering experiments of water and other bulk molecular liquids have long been assumed to be insensitive to interactions between the molecules. The measured intensity is generally thought to arise from incoherent scattering…
The spectra of pure, mixed and layered CO and CO2 ices have been studied systematically under laboratory conditions using infrared spectroscopy. This work provides improved resolution spectra (0.5 cm-1) of the CO2 bending and asymmetric…
We present the first successful application of the coupled cluster approach to simulate the X-ray absorption (XA) spectrum of liquid water. The system size limitations of standard coupled cluster theory are overcome by employing a newly…
A method is presented for calculating binding energies and other properties of extended interacting systems using the projected density of transitions (PDoT) which is the probability distribution for transitions of different energies…
The amount of water vapor in the terrestrial atmosphere is highly variable both spatially and temporally. In the tropics it sometimes constitutes 4-5% of the atmosphere. At the same time collisional broadening of spectral lines by water…
Optical diffraction tomography relies on solving an inverse scattering problem governed by the wave equation. Classical reconstruction algorithms are based on linear approximations of the forward model (Born or Rytov), which limits their…
Context: Reliable, directly measured optical properties of astrophysical ice analogs in the infrared (IR) and terahertz (THz) range are missing. These parameters are of great importance to model the dust continuum radiative transfer in…
This paper presents an extension of the hybrid scheme proposed by Wang et al. (J. Comput. Phys. 229 (2010) 169-180) for numerical simulation of compressible isotropic turbulence to flows with higher turbulent Mach numbers. The scheme still…
A new method for highly selective remote sensing of atmospheric trace polar molecular gases is described. Based on infrared/terahertz double resonance spectroscopic techniques, the molecule- specific coincidence between the lines of a CO2…
We develop a multi-scale theoretical approach aimed at calculating from first principles X-ray absorption spectra of liquid solutions and disordered systems. We test the method by considering the paradigmatic case of Zn(II) in water which,…
Spectrum manipulation is central to photonic systems, where advanced computing and sensing applications often demand highly complex spectral responses to achieve high throughput. Conventional methods for enhancing spectral complexity…
A theoretical description of local absorption is proposed in order to investigate spectral variations on a length scale comparable with the extension of the relevant quantum states. A general formulation is derived within the density-matrix…
We discuss nonlinear spectra of selective reflection from high-density rubidium atomic vapor, where the self-broadening of the resonant transition $5S_{1/2}-5P_{3/2}$ dominates over the Doppler width. In the experiments, the hole-burning…
The infrared (IR) spectra of protonated water clusters encode precise information on the dynamics and structure of the hydrated proton. However, the strong anharmonic coupling and quantum effects of these elusive species remain puzzling up…
Reverse Monte Carlo modeling of liquid water, based on one neutron and one X-ray diffraction data set, applying also the most popular interatomic potential for water, SPC/E, has been performed. The strictly rigid geometry of SPC/E water…
Complex field imaging, which captures both the amplitude and phase information of input optical fields or objects, can offer rich structural insights into samples, such as their absorption and refractive index distributions. However,…
Aims. This article aims to provide an alternative method of measuring the porosity of multi-phase composite ices from their refractive indices and of characterising how the abundance of a premixed contaminant (e.g., CO2) affects the…
The time-resolved optical Kerr effect spectroscopy (OKE) is a powerful experimental tool enabling accurate investigations of the dynamic phenomena in molecular liquids. We introduced innovative experimental and fitting procedures, that…
Rigorous quantum dynamics calculations provide essential insights into complex scattering phenomena across atomic and molecular physics, chemical reaction dynamics, and astrochemistry. However, the application of the gold-standard quantum…