相关论文: Vibrational Spectroscopy of Methyl benzoate
Raman spectroscopy is an important tool for studies of molecules, liquids and solids. While Raman spectra can be obtained theoretically from molecular dynamics (MD) simulations, this requires the calculation of the electronic polarizability…
Methane is a key spherical-top molecule, yet restrictive selection rules for one-photon transitions have prevented determination of its ground state (GS) energies with state-of-the-art kHz-level accuracy. We report the GS rotational energy…
Spectra of the neutral heavy mesons, $\eta_c(1S,2S)$, $J/\psi$, $\psi(2S)$, $\eta_b(1S,2S,3S)$, $\Upsilon(1S,2S,3S)$, $D$, $D^\ast$, $B$, $B^\ast$, $B_s$ and $B_s^\ast$, in a homogeneous magnetic field are analyzed in a potential model of…
The latest molecular data - potential energy curves and Rydberg-valence interactions - characterising the super-excited electronic states of BF are reviewed in order to provide the input for the study of their fragmentation dynamics.…
Coherent dynamics of coupled molecules are effectively characterized by the two-dimensional (2D) electronic coherent spectroscopy. Depending on the coupling between electronic and vibrational states, oscillating signals of purely…
The transient quantum statistical properties of the atoms and molecules in an atom-molecule BEC system are investigated by obtaining a third-order perturbative solution of the Heisenberg's equations of motion corresponding to the…
Spectral distortions of the Cosmic Microwave Background (CMB) offer the possibility of probing processes which occurred during the evolution of our Universe going back up to Z$\simeq 10^7$. Unfortunately all the attempts so far carried out…
The Variational Quantum Algorithms (VQAs) are hybrid quantum-classical algorithms and they can be used in the Nosiy Intermadiate Scale Quantum (NISQ) devises. The Variational Quantum Eigensolver (VQE) was suggested as a first VQA. VQE is…
Biogenic Volatile Organic Compounds (BVOCs) emitted from the terrestrial ecosystem into the Earth's atmosphere are an important component of atmospheric chemistry. Due to the scarcity of measurement, a reliable enhancement of BVOCs emission…
The mechanical properties of PC12 living cells have been studied at the nanoscale with a Force Feedback Microscope using two experimental approaches. Firstly, the local mechanical impedance of the cell membrane has been mapped…
There are applications, which require MeV-range multiple-beams consisting of a large number of identical highly packed beamlets. The multiple-beam RFQ (MB-RFQ) arranged as a matrix array of longitudinal rod-electrodes is appropriate…
The oblate-prolate shape coexisting/mixing phenomena in proton-rich 68,70,72Se are investigated by means of the adiabatic self-consistent collective coordinate (ASCC) method. The one-dimensional collective path and the collective…
Vibrational properties of molecules are of widespread interest and importance in chemistry and biochemistry. The reliability of widely employed approximate computational methods is questioned here against the complex experimental spectrum…
We formulate the theory for a diatomic molecule in a spatially degenerate electronic state interacting with a non-resonant laser field and investigate its rovibrational structure in the presence of the field. We report on \textit{ab initio}…
Large-scale magnetic fields affect the scalar modes of the geometry whose ultimate effect is to determine the anisotropies of the Cosmic Microwave Background (CMB in what follows). For the first time, a consistent numerical approach to the…
One of the essential goals of molecular spectroscopy is to measure all fundamental molecular vibrations simultaneously. To this end, one needs to measure broadband infrared (IR) absorption and Raman scattering spectra, which provide…
New high-precision microwave spectroscopic measurements and analysis of rotational energy level transitions in the ground vibronic state of the open-shell BaF molecule are reported with the purpose of contributing to studies of physics…
In this work, we report results from our extensive spectroscopic study on AlF and AlCl molecules, keeping in mind potential laboratory as well as astrophysical applications. We carry out detailed electronic structure calculations in both…
The development of accurate tools to characterize Intramolecular Vibrational Redistribution (IVR) is of major interest in chemistry. In this context, surface-enhanced vibrational spectroscopies stand up as well-established techniques to…
We calculate the momentum dependent spectral function of the Bose-Hubbard model on a simple cubic lattice in three dimensions within the bosonic dynamical mean-field theory (B-DMFT). The continuous-time quantum Monte Carlo method is used to…