两纠缠原子与相干态光场相互作用的动力学

采用时间演化算符和数值计算方法,研究了两全同二能级纠缠原子与相干态光场相互作用的动力学,结果表明:原子布居和偶极压缩特性与两原子体系纠缠度和相干态光场强度相关联.     

Justification of Dipole Approximation in the Problem of Nonlinear Wave Generation by a Submerged Sphere

Some nonlinear dipole approximation is constructed for the nonstationary problem of a solid sphere motion under a free surface. The approximation is justified in the class of analytic functions decaying at infinity.Original Russian Text Copyright © 2005 Pyatkina E. V.The author was supported by the State Maintenance Program for the Leading Scientific Schools (Grant NSh-440.2003.1) and the Russian Foundation for Basic Research (Grant 05-01-00250).__________Translated from Sibirskii Matematicheskii Zhurnal, Vol. 46, No. 4, pp. 907–927, July–August, 2005.     

永磁体等效磁矩的测量

在磁技术应用中，对永磁材料的主要磁性参数的研究及测量已成为人们关注的问题之一．本文提出通过测量磁场从而确定永磁体磁矩的一种简便方法，并就测量所涉及的有关问题作了讨论．     

一氧化碳分子激光器的小信号增益系数的计算和分析

本文根据ＲＫＲ理论，彩用数值方法比较精确地计算了一氧化碳分子激光器的小 信号增益系数。通过对计算结果的深入分析提出：进一步降低激光器的等离子温度是 实现Δｖ＝２的激光跃迁的一个重要途径．     

Three-dimensional ab initio dipole moment surfaces and stretching vibrational band intensities of the XH3 molecules

Stretching vibrational band intensities of XH₃ (X=N, Sb) molecules are investigated employing three-dimensional dipole moment surfaces combined with the local mode Hamiltonian model.The dipole moment surfaces of NH₃ and SbH₃ are calculated with the density functional theory and at the correlated MP2 level,respectively. The calculated band intensities are in good agreement with the available experimental data. The contribution to the band intensities from the different terms in the polynomial expansion of the dipole moments of four group V hydrides (NH₃, PH₃,AsH₃ and SbH₃) are discussed. It is concluded that the breakdown of the bond dipole approximation must be considered. The intensity “borrowing” effect due to the wave function mixing among the stretching vibrational states is found to be less significant for the molecules that reach the local mode limit.     

Multispectrum fitting of line parameters for C2H2 in the 3.8-μm spectral region

Using FT spectra (Bruker IFS 120, unapodized FWHM resolution ≈ 0.001 cm⁻¹) of acetylene ¹²C₂H₂, absolute positions and intensities have been measured for about 250 lines between 2600 and 2800 cm⁻¹ in the and cold bands, and in the and hot bands. These measurements improve the accuracy of wavenumbers previously available and lead to individual line intensities for the first time in this spectral region. A multispectrum fitting procedure has been used to retrieve line parameters from five experimental spectra recorded at different pressures. The frequencies of the ν₃ band of ¹²C¹⁶O₂ allowed to perform an absolute wavenumber calibration. The accuracy of the amount of ¹²C₂H₂ in the sample has been checked using the cold band around 2100 cm⁻¹, and has been estimated to be around ±2%. The average absolute accuracy of the line parameters obtained in this work has then been estimated to be ±0.0002 cm⁻¹ for line positions, and ±5% for line intensities. For each studied band, the vibrational transition dipole moment squared value has been determined, as also empirical Herman-Wallis coefficients. A complete line list containing positions and intensities for the five strongest bands around 3.8 μm has been set up for atmospheric applications.     

Three 1‐phenylindolin‐2‐one derivatives displaying different molecular dipole moments and different crystallographic symmetries

Three 1‐phenylindolin‐2‐one derivatives, namely 1‐phenylindolin‐2‐one, C₁₄H₁₁NO, (I), 5‐bromo‐1‐phenylindolin‐2‐one, C₁₄H₁₀BrNO, (II), and 5‐iodo‐1‐phenylindolin‐2‐one, C₁₄H₁₀INO, (III), have been synthesized and their structures determined. Compounds (I) and (II) crystallized in the centrosymmetric space groups Pbca and P2₁/c, respectively, while compound (III) crystallized in the polar space group Aea2. Density functional theory (DFT) calculations show that the molecular dipole moment gradually decreases in the order (I) > (II) > (III). The relatively smaller dipole moment of (III) and the larger non‐electrostatic intermolecular interactions may be the main reasons for the noncentrosymmetric and polar structure of (III).     

Exo conformers of N‐(pyridin‐2‐yl)‐ and N‐(pyridin‐3‐yl)norbornene‐5,6‐dicarboximide crystals

Two isomeric pyridine‐substituted norbornenedicarboximide derivatives, namely N‐(pyridin‐2‐yl)‐exo‐norbornene‐5,6‐dicarboximide, (I), and N‐(pyridin‐3‐yl)‐exo‐norbornene‐5,6‐dicarboximide, (II), both C₁₄H₁₂N₂O₄, have been crystallized and their structures unequivocally determined by single‐crystal X‐ray diffraction. The molecules consist of norbornene moieties fused to a dicarboximide ring substituted at the N atom by either pyridin‐2‐yl or pyridin‐3‐yl in an anti configuration with respect to the double bond, thus affording exo isomers. In both compounds, the asymmetric unit consists of two independent molecules (Z′ = 2). In compound (I), the pyridine rings of the two independent molecules adopt different conformations, i.e. syn and anti, with respect to the methylene bridge. The intermolecular contacts of (I) are dominated by C—H...O interactions. In contrast, in compound (II), the pyridine rings of both molecules have an anti conformation and the two independent molecules are linked by carbonyl–carbonyl interactions, as well as by C—H...O and C—H...N contacts.     

Ab initio spectroscopic study for the NaRb molecule in ground and excited states

A wide adiabatic study is performed for NaRb molecule, involving 15¹Σ⁺ electronic states including the ionic state Na^?Rb⁺, as well as 14³Σ⁺, 1–9^1,3Π, and 1–5^1,3Δ states. This investigation is performed using an ab initio approach which involves the effective core potential, the core polarization potential with l‐dependent cut‐off functions. The NaRb system has been treated as a two‐electron system and the full valence configuration interaction is easily achieved. The spectroscopic constants R_e, D_e, T_e, ω_e, ω_ex_e, B_e, and D₀ for all these states are derived. We have also computed the vibrational levels as well their spacing for different values of J. In addition, permanent and transition dipole moments are determined and analyzed. The Dunham coefficients have been used to perform experimental spacing to compare directly with our results. The present calculations on NaRb extend previous theoretical works to numerous electronic excited states in the various symmetries. © 2014 Wiley Periodicals, Inc.     

Solubility of HFCs in lower alcohols

This work is inserted in a research program that consists mainly in the experimental and theoretical study of the effect of association between solute and solvent molecules in the solubility of gases in liquids.The solubilities of hydrofluorocarbons, HFCs, (CH₃F, CH₂F₂, CHF₃) in lower alcohols (methanol, ethanol, 1-propanol, 1-butanol) have been determined in the temperature range [284, 313] K, at atmospheric pressure. An automated apparatus based on Ben-Naim-Baer and Tominaga et al. designs was used, which provides an accuracy of 0.6%. A precision of the same order of magnitude was achieved.To represent the temperature dependence of the mole fraction solubilities, the equation R ln x₂ = A + B/T + C ln T was used. From this equation, the experimental Gibbs energies, enthalpies and entropies of solution at 298 K and 1 atm partial pressure of the gas, were calculated.A semiempirical correlation has been developed between the solubilities of HFCs in alcohols at 298 K and the Gutmann acceptor number of solvents, AN, and reduced dipole moment of the gases, μ*.