Related papers: An Effective Semiclassical Approach to IR Spectros…
Numerous molecules exhibit unique absorption bands in the fingerprint infrared (IR) region, allowing chemical identification and detection. This makes IR spectroscopy an essential tool in biomedical diagnostics, sensing, and material…
We study the problem of passive imaging through convolutive channels. A scene is illuminated with an unknown, unstructured source, and the measured response is the convolution of this source with multiple channel responses, each of which is…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
The recently developed energy conserving semi-implicit method (ECsim) for PIC simulation is applied to multiple scale problems where the electron-scale physics needs to be only partially retained and the interest is on the macroscopic or…
To reduce the complexity of infrared spectroscopy hardware while maintaining performance, a data informed, task-specific, spectral collection approach termed Sparse Infrared Spectroscopy (SIRS) is developed. Using a numerically based…
We propose an approximation of nonlinear renewal equations by means of ordinary differential equations. We consider the integrated state, which is absolutely continuous and satisfies a delay differential equation. By applying the…
This paper deals with the treatment of quantum interferences in the semiclassical initial value theory of rotationally inelastic scattering in the interaction picture [C. W. McCurdy and W. H. Miller, J. Chem. Phys. 67, 463 (1977)]. It is…
Vibrational spectroscopy, comprised of infrared absorption and Raman scattering spectroscopy, is widely used for label-free optical sensing and imaging in various scientific and industrial fields. The group theory states that the two…
First results are presented obtained with an experimental setup developed to record IR spectra of rotationally state-selected ions. The method we use is a state-selective version of a method developed by S. Schlemmer, D. Gerlich and…
Mixed Quantum Classical (MQC)-IVR is a recently introduced semiclassical framework that allows for selective quantization of the modes of a complex system. In the quantum limit, MQC reproduces the semiclassical Double Herman-Kluk IVR…
Conventional diagonalization methods to calculate nuclear energy levels in the framework of the configuration-interaction (CI) shell model approach are prohibited in very large model spaces. The shell model Monte Carlo (SMMC) is a powerful…
Infrared (IR) spectroscopy, a type of vibrational spectroscopy, is widely used for molecular structure determination and provides critical structural information for chemists. However, existing approaches for recovering molecular structures…
A general method for rotational microwave spectroscopy and control of polar molecular ions via direct microwave addressing is considered. Our method makes use of spatially varying AC Stark shifts, induced by far off-resonant, focused laser…
The absorption and emission spectrum arising from the vibrational motion of a molecule is mostly in the infrared region. These fingerprint absorptions of polar bonds enable us to acquire bond-specific chemical information from specimens.…
Analyses of gamma-ray spectra, acquired through non-invasive techniques, have found applications in fields such as medicine, industry and homeland security. Constituent gamma-ray spectra of a chemical compound have been determined from its…
Large corrections to the inflationary tensor power spectrum have been speculated to emerge either as second-order scalar-induced classical effects, or as 1-loop quantum corrections. These two sources are not independent of each other.…
A semicalssical method based on surface-hopping techniques is developed to model the dynamics of radiative association with electronic transitions in arbitrary polyatomic systems. It can be proven that our method is an extension of the…
Single-beam spectrally controlled (SBSC) two-dimensional (2D) Raman spectroscopy is a unique 2D vibrational measurement technique utilizing trains of short pulses that are generated from a single broadband pulse by pulse shaping. This…
Mid-infrared (mid-IR) spectroscopy is a crucial workhorse for a plethora of analytical applications and is suitable for diverse materials, including gases, polymers or biological tissue. However, this technologically significant wavelength…
We present an accurate spectral integral method (SIM) for the analyses of scattering from multiple circular perfect electric conductor (PEC) cylinders. It solves the coupled surface integral equations by using the Fourier series and…