相关论文: Vibrational Spectroscopy of Methyl benzoate

We propose a cost-efficient measurement scheme of the variational quantum eigensolver (VQE) for atomistic simulations of electronic structures based on a tight-binding (TB) theory. Leveraging the lattice geometry of a material domain, the…

Nowadays, there is a growing interest in the field of magnetic particle spectroscopy (MPS)-based bioassays. MPS monitors the dynamic magnetic response of surface-functionalized magnetic nanoparticles (MNPs) upon excitation by an alternating…

Molecular dynamical (MD) simulations are performed to simulate two dimensional vibrofluidized granular materials in this work. Statistics on simulation results indicate that there exist shocks propagating upward in each vibrating cycle.…

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…

Good many-body methods for medium and heavy nuclei are important. Here we combine ideas from standard generator-coordinate methods (GCM) and the so-called Monte Carlo shell model, and set forth a novel approach: starting from a mean-field…

The investigation of mixing phenomena and lifetime in neutral B meson systems provides an important testing ground for standard model flavour dynamics. Spectroscopic parameters has been used to calculate the pseudoscalar decay constant and…

Molecular vibrational spectroscopy with the scanning tunneling microscope is feasible but usually detects few vibrational modes. We harness sharp Yu-Shiba-Rusinov (YSR) states observed from molecules on a superconductor to significantly…

We develop a simple continuum model to analyze the vibrational modes of a nanomechanical multi-element structure. In this model, arrays of sub-micron cantilevers located symmetrically on both sides of the central clamped-clamped nanobeam…

Bosonic quantum devices, which utilize harmonic oscillator modes to encode information, are emerging as a promising alternative to conventional qubit-based quantum devices, especially for the simulation of vibrational dynamics and…

Vibrational optical spectroscopies can be enhanced by surface plasmons to reach molecular-sized limits of detection and characterization. The level of enhancement strongly depends on microscopic details of the sample that are generally…

Local electronic-structure methods in quantum chemistry operate on the ability to compress electron correlations more efficiently in a basis of spatially localized molecular orbitals than in a parent set of canonical orbitals. However, many…

A random matrix model to describe the coupling of m-fold symmetry in constructed. The particular threefold case is used to analyze data on eigenfrequencies of elastomechanical vibration of an anisotropic quartz block. It is suggested that…

We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic)…

The coupling of an electron monochromator (EM) to a mass spectrometer (MS) has created a new analytical technique, EM-MS, for the investigation of electrophilic compounds. This method provides a powerful tool for molecular identification of…

Observations of the Cosmic Microwave Background (CMB) provide increasingly accurate information about the structure of the Universe at the recombination epoch. Most of this information is encoded in the angular power spectrum of the CMB.…

Double-$\gamma$ vibrations in deformed nuclei are studied in the context of the interacting boson model with special reference to their anharmonic character. It is shown that large anharmonicities can be obtained with interactions that are…

A numerical simulation of vibrational excitation of molecules was devised, and used to excite computational models of common molecules into a prescribed, pure, normal vibration mode in the ground electronic state, with varying, controlable…

Multi-dimensional spectroscopy represents a particularly insightful tool for investigating the interplay of nuclear and electronic dynamics, which plays an important role in a number of photophysical processes and photochemical reactions.…

We theoretically analyze correlation effects on the transport properties of a benzene molecule that are mediated by interactions between the motion of the nuclei and the transmitted charge. We focus on the lowest-lying molecular vibrational…

Inter-symbol interference (ISI) with heteroscedastic, or state-dependent, noise is a defining feature of molecular communication via diffusion (MCvD). However, such noise variance dependency across ISI states has not been systematically…