相关论文: Electronic Aromaticity Index for Large Rings

The major goal of the high-precision studies of ro-vibrational states in the hydrogen molecular ions is to provide an alternative way for improving the electron-to-proton mass ratio, or the atomic mass of electron. By now the complete set…

We present a new method to accurately describe the ionization fraction and the size distribution of polycyclic aromatic hydrocarbons (PAHs) within astrophysical sources. To this purpose, we have computed the mid-infrared emission spectra of…

The ALICE experiment at the Large Hadron Collider (LHC) ring is designed to study the strongly interacting matter at extreme energy densities created in high-energy heavy-ion collisions. In this paper we investigate correlations of heavy…

A new 3.2--3.5~$\mu$m spectrum of the protostar Mon~R2/IRS-3 confirms our previous tentative detection of a new absorption feature near 3.25 $\mu$m. The feature in our new spectrum has a central wavelength of 3.256 $\mu$m (3071 cm$^{-1}$)…

While powerful techniques exist to accurately account for anharmonicity in vibrational molecular spectroscopy, they are computationally very expensive and cannot be routinely employed for large species and/or at non- zero vibrational…

The anharmonic decay rates of atomic vibrations in amorphous silicon (a-Si) and paracrystalline silicon (p-Si), containing small crystalline grains embedded in a disordered matrix, are calculated using realistic structural models. The…

Recent proposals of measuring bipartite Renyi entropy experimentally involve techniques that hold exactly for non-interacting quantum particles. Here we consider the difference between such measurements and the actual Renyi entropy for…

Aims. We aim to elucidate the spectral changes in the 3 micron region that result from chemical changes in the molecular periphery of polycyclic aromatic hydrocarbons (PAHs) with extra hydrogens (H-PAHs) and methyl groups (Me-PAHs).…

Using infrared photometry from the Spitzer Space Telescope, we perform the first inventory of aromatic feature emission (AFE, but also commonly referred to as PAH emission) for a statistically complete sample of star-forming galaxies in the…

The compound LiAl_yTi_(2-y)O_4 undergoes a metal-to-insulator transition for y_c ~0 .33. This system, in the absence of strong electronic correlations, is a prototypical example of quantum site percolation. However, it is known that the…

We show that an intra-cavity medium with normal dispersion reduces the sensitivity of the cavity resonance frequency to a change in its length by a factor inversely proportional to the group index. Since the group index in an atomic medium…

The experimental determination of eutectic points is a long-established and widely used technique, but it is generally only practical for systems with relatively low melting points. Many modern, promising materials, however, are…

The orientation of luminescent molecules in organic light-emitting diodes (OLEDs) strongly influences device performance. However, our understanding of the factors controlling emitter orientation is limited as current measurements only…

High resolution photoelectron spectra of cold mass selected Cu_n-, Ag_n- and Au_n- with n =53-58 have been measured at a photon energy of 6.42 eV. The observed electron density of states is not the expected simple electron shell structure,…

Electronegativity is a cornerstone of chemical intuition, essential for rationalizing bonding, reactivity, and material properties. However, prevailing scales remain empirically derived, often relying on parameterized models or composite…

The electronic structures of a variety of experimentally identified gold and silver nanoclusters from 20 to 246 atoms, either unprotected or protected by several types of ligands, are characterized by using point group specific symmetry…

Intermolecular vibrations are extremely challenging to describe but are the most crucial part for determining entropy and hence free energies, and enable for instance the distinction between different crystal-packing arrangements of the…

We present the AKARI mid-infrared diffuse map of an area of about 4 deg x 3 deg near the Galactic center in the 9 um band. The band intensity is mostly attributed to the aromatic hydrocarbon infrared emissions of carbonaceous grains at…

The electronic structure and the chemical state in Am binary oxides and Am-doped UO$_2$ were studied by means of x-ray absorption spectroscopy at shallow Am core ($4d$ and $5d$) edges. In particular, the Am $5f$ states were probed and the…

Emitters strongly coupled to a photonic crystal provide a powerful platform for realizing novel quantum light-matter interactions. Here we study the optical properties of a three-level artificial atomic chain coupled to a one-dimensional…