Related papers: An Effective Semiclassical Approach to IR Spectros…
The semiclassically scaled time-dependent multi-particle Schr\"odinger equation describes, inter alia, quantum dynamics of nuclei in a molecule. It poses the combined computational challenges of high oscillations and high dimensions. This…
Sensing with undetected photons has become a vibrant, application-driven research domain with a special focus on the mid-infrared (mid-IR) wavelength region. Since the mid-IR contains spectral bands with highly specific and strong molecular…
In the semiclassical picture of photoionization process in intense laser fields, the ionization rate solely depends on the amplitude of the electric field and the final photoelectron momentum corresponds to the instant of ionization of the…
Vibrational spectroscopy is a ubiquitous technology that derives the species, constituents, and morphology of an object from its natural vibrations. However, the vibrational spectra of mesoscopic particles - including most biological cells…
The semiclassical Double Herman-Kluk Initial Value Representation is an accurate approach to computing quantum real time correlation functions, but its applications are limited by the need to evaluate an oscillatory integral. In previous…
Atomic Force Microscopy - Infrared (AFM-IR) spectroscopy allows spectroscopic studies in the mid-infrared spectral region with a spatial resolution better than 50 nm. We show that the high spatial resolution can be used to perform…
A new modeling way of describing the continuous absorption of electromagnetic (EM) radiation in dense partially ionized hydrogen plasma is tested in this work. It is shown that the obtained results give a possibility of calculating spectral…
These notes offer a unified introduction to spectral methods for the study of complex systems. They are intended as an operative manual rather than a theorem-proof textbook: the emphasis is on tools, identities, and perspectives that can be…
We consider the numerical solution of high-frequency scattering problems modeled by the Helmholtz equation with a bounded obstacle. Although the analysis of this problem dates back at least 50 years, over the past decade or so, tools and…
There is currently a paradigm shift in several power system monitoring applications, such as incipient fault detection and monitoring inverter-based resources, to transition from traditional phasor analytics to more informative waveform…
We present a machine-learning approach toward predicting spectroscopic constants based on atomic properties. After collecting spectroscopic information on diatomics and generating an extensive database, we employ Gaussian process regression…
We describe a technique for deriving effective temperatures, surface gravities, rotation velocities, and radial velocities from high resolution near-IR spectra. The technique matches the observed near-IR spectra to spectra synthesized from…
Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…
Using a combination of high-level ab initio electronic structure methods with efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed a massive scan of small polyatomic molecules searching for a long lasting…
We present a collection of well-conditioned integral equation methods for the solution of electrostatic, acoustic or electromagnetic scattering problems involving anisotropic, inhomogeneous media. In the electromagnetic case, our approach…
IR microspectroscopy of single biological cells is challenged by strong light scattering, which produces baseline effects and peak distortions in the IR spectra and hinders the direct extraction of chemical information. Current methods for…
Variational optimization of neural-network quantum state representations has achieved FCI-level accuracy for ground state calculations, yet computing optical properties involving excited states remains challenging. In this work, we present…
Infrared (IR) spectroscopy can be used as an important and effective tool for probing periodic networks of quantum wires or nanotubes (quantum crossbars, QCB) at finite frequencies far from the Luttinger liquid fixed point. Plasmon…
Can classical systems be described analytically at all orders in their interaction strength? For periodic and approximately periodic systems, the answer is yes, as we show in this work. Our analytical approach, which we call the…
Integral-equation-based fast direct solvers for electromagnetic scattering can substantially reduce computational costs, especially in the presence of multiple excitations. We recently proposed a new high-frequency fast direct solver…