Search results for "Antisymmetric relation"
showing 10 items of 30 documents
Infrared Spectroscopy of Disilicon-Carbide, Si2C: The ν3 Fundamental Band
2019
The ν3 antisymmetric stretching mode of disilicon-carbide, Si2C, was studied using a narrow line width infrared quantum cascade laser spectrometer operating at 8.3 μm. The Si2C molecules were produ...
High-resolution rovibrational spectroscopy of c-C3H2+: The ν7 C–H antisymmetric stretching band
2020
Abstract The ν 7 antisymmetric C–H stretching fundamental of c- C 3 H 2 + has been characterized in a cryogenic 22-pole ion trap by a novel type of action spectroscopy, in which the rovibrational excitation of c- C 3 H 2 + is detected as a slowing down of the low-temperature reaction c- C 3 H 2 + + H2 → C 3 H 3 + + H. Ninety-one rovibrational transitions with partly resolved fine structure doublets were measured in high resolution. Supported by high-level quantum chemical calculations, spectroscopic parameters were determined by fitting the observed lines with an effective Hamiltonian for an asymmetric rotor in a doublet electronic ground state, X ˜ A 1 2 , yielding a band origin at 3113.6…
Phase separation versus wetting: A mean field theory for symmetrical polymer mixtures confined between selectively attractive walls
1996
Partially compatible symmetrical (N A # N B = N) binary mixtures of linear flexible polymers (A, B) are considered in the presence of two equivalent walls a distance D apart, assuming that both walls preferentially adsorb the same component. Using a Flory-Huggins type mean field approach analogous to previous work studying wetting phenomena in the semi-infinite version of this model, where D → ∞, it is shown that a single phase transition occurs in this thin film geometry, namely a phase separation between an A-rich and a B-rich phase (both phases include the bulk of the film). The coexistence curve is shifted to smaller values of the inverse Flory-Huggins parameter x -1 with decreasing D, …
The interplay between wetting and phase behaviour in binary polymer films and wedges: Monte Carlo simulations and mean field calculations
2005
By confining a binary mixture, one can profoundly alter its miscibility behaviour. The qualitative features of miscibility in confined geometry are rather universal and are shared by polymer mixtures as well as small molecules, but the unmixing transition in the bulk and the wetting transition are typically well separated in polymer blends. We study the interplay between wetting and miscibility of a symmetric polymer mixture via large scale Monte Carlo simulations in the framework of the bond fluctuation model and via numerical self-consistent field calculations. The film surfaces interact with the monomers via short-ranged potentials, and the wetting transition of the semi-infinite system …
MAGNETIC COUPLING OF ALKALI AND RARE-GAS FILMS ADSORBED ON A FERROMAGNETIC SURFACE
2002
The observation of magnetic circular dichroism in the angular distribution of photoelectrons (MCDAD) from alkali and rare-gas films adsorbed on a thin remanently magnetized Co layer is reported. The observation of an antisymmetric MCDAD near normal emission for Co(0001)–Cs 5p semi core level is shown. The reversed magnetization leads to a mirror-image-like distribution. The second system under investigation, physisorbed Co(0001)–Xe 5p, does not give such an but shows significant differences in the MCDAD signal for both directions of magnetization, in particular in the |mj| substates of the p3/2 level. A magnetic coupling between Xe and Co is evident when we take results of spin-resolved ph…
Do the contact angle and line tension of surface-attached droplets depend on the radius of curvature?
2018
Results from Monte Carlo simulations of wall-attached droplets in the three-dimensional Ising lattice gas model and in a symmetric binary Lennard-Jones fluid, confined by antisymmetric walls, are analyzed, with the aim to estimate the dependence of the contact angle $(\Theta)$ on the droplet radius $(R)$ of curvature. Sphere-cap shape of the wall-attached droplets is assumed throughout. An approach, based purely on "thermodynamic" observables, e.g., chemical potential, excess density due to the droplet, etc., is used, to avoid ambiguities in the decision which particles belong (or do not belong, respectively) to the droplet. It is found that the results are compatible with a variation $[\Th…
Traces of symmetry-adapted reduced density operators
1990
Formulae are derived for traces of symmetry-adapted reduced density operators in a finite-dimensional, antisymmetric and spin-adapted space. The traces are expressed in terms of traces of products of the orbital occupation number operators.
Gas-Phase Spectroscopic Detection and Structural Elucidation of Carbon-Rich Group 14 Binary Clusters: Linear GeC3Ge
2016
Guided by high-level quantum-chemical calculations at the CCSD(T) level of theory, the first polyatomic germanium-carbon cluster, linear Ge2C3, has been observed at high spectral resolution in the gas phase through its remarkably complex fundamental antisymmetric C-C stretching mode ν3 located at 1932 cm(-1). The observation of a total of six isotopic species permits the derivation of a highly accurate value for the equilibrium Ge-C bond length. The present study suggests that many more Ge-C species might be detectable in the future using a combination of laser-ablation techniques for production and high-resolution infrared and/or microwave techniques for spectroscopic detection.
Molecular parity nonconservation in nuclear spin couplings
2017
The weak interaction does not conserve parity, which is apparent in many nuclear and atomic phenomena. However, thus far, parity nonconservation has not been observed in molecules. Here we consider nuclear-spin-dependent parity nonconserving contributions to the molecular Hamiltonian. These contributions give rise to a parity nonconserving indirect nuclear spin-spin coupling which can be distinguished from parity conserving interactions in molecules of appropriate symmetry, including diatomic molecules. We estimate the magnitude of the coupling, taking into account relativistic corrections. Finally, we propose and simulate an experiment to detect the parity nonconserving coupling using liqu…
New Boundary-Driven Twist States in Systems with Broken Spatial Inversion Symmetry
2017
A full description of a magnetic sample includes a correct treatment of the boundary conditions (BCs). This is in particular important in thin film systems, where even bulk properties might be modified by the properties of the boundary of the sample. We study generic ferromagnets with broken spatial inversion symmetry and derive the general micromagnetic BCs of a system with Dzyaloshinskii-Moriya interaction (DMI). We demonstrate that the BCs require the full tensorial structure of the third-rank DMI tensor and not just the antisymmetric part, which is usually taken into account. Specifically, we study systems with $C_{\infty v}$ symmetry and explore the consequences of the DMI. Interesting…