Optical observation of the kinetics of thermalization between the P0 and P1 excited states of Pr in symmetrical Pr-Gd pairs in CsCdBr3

The time dependence of thermalization between the ³P₀ and ³P₁ electronic states of Pr³⁺ in symmetrical Pr³⁺-Gd³⁺ pairs in CsCdBr₃, following pulsed laser excitation into either state, is reflected in the time dependence of the luminescence from both states. The ³P₀ and ³P₁ states achieve thermal equilibrium in the microsecond time domain over the temperature range of study (215-340 K). Because the ³P₀-³P₁ energy gap is larger than the phonon cutoff in CsCdBr₃, thermalization occurs via multiphonon processes. A rate-equation model for the thermalization process is presented, and the temperature dependence of the rate constants for ³P₁←³P₀ multiphonon absorption and ³P₁→³P₀ multiphonon emission is reported from 215-340 K. In contrast to CsCdBr₃, the analogous thermalization kinetics in Pr³⁺-Gd³⁺ pairs in isostructural CsMgCl₃ is not discernable in the ³P₀ and ³P₁ luminescence, because thermalization is instantaneous within the time resolution of our experiments (∼20 ns). The difference in the thermalization kinetics in the two lattices is attributed to the difference in the number of phonons required to bridge the ³P₀-³P₁ energy gap.     

Low-lying energy levels of the FeH molecule

Multireference configuration interaction (MRCI) and complete active space second-order perturbation theory (CASPT2) calculations are performed on Fe₂ and Fe^? ₂. Although it is not possible to definitively identify the ground states of Fe₂ and Fe^? ₂, the calculations suggest that the ground state of Fe^? ₂ in ⁸Σ^? _u derived from 3d¹³4σ² _g4σ² _u and that the states observed in photodetachment are the ⁹Σ^? _g and ⁷Σ^? _g states with a 3d¹³4σ² _g4σ¹ _u occupation, but that the ground state of Fe₂ is ⁷Δ_u(3d¹⁴4σ² _g) and is not observed in the photo-detachment spectra.     

Accurate theoretical spectroscopic investigations of the 20 Λ-S and 58 Ω states of O2+ cation including the spin–orbit coupling effect

The potential energy curves (PECs) are calculated for the 20 Λ-S states (X²Π_g, A²Π_u, B²Σ^?_g, a⁴Π_u, b⁴Σ^?_g, b′⁴Π_g, c⁴Σ^?_u, 1²Σ⁺_g, 1²Σ⁺_u, 1²Σ^?_u, 1⁴Σ⁺_g, 1⁴Σ⁺_u, 1⁴Δ_g, 1⁴Δ_u, 1⁶Σ⁺_g, 1⁶Σ⁺_u, 1⁶Π_g, 1⁶Π_u, 2⁴Π_g and 2⁴Π_u) of O₂⁺ cation and their corresponding 58 Ω states. Of these 20 Λ-S states, the 1⁶Π_u state is found to be repulsive. The 1²Σ⁺_g, 1⁴Σ⁺_u, c⁴Σ^?_u and 1⁴Δ_u states are found to possess the double well. The b⁴Σ^?_g, 1⁶Σ⁺_g, 1⁴Σ⁺_u, a⁴Π_u, A²Π_u, 1⁶Π_g and 2⁴Π_g states are found to be inverted with the spin–orbit coupling effect included. The b′⁴Π_g, 1⁶Π_g, 1⁶Σ⁺_g, 1⁴Σ⁺_u and 1⁴Δ_u states, and the second well of the 1²Σ⁺_g state are found to be the weakly bound states. The b′⁴Π_g state is found to possess one well with one barrier. The PECs are calculated by the complete active space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with the Davidson correction in combination with the aug-cc-pV6Z basis set. The core–valence correlation and scalar relativistic corrections are included. The convergent behaviour of present calculations is discussed with respect to the basis set and theoretical level. The spin–orbit coupling effect is accounted for. The PECs are extrapolated to the complete basis set limit. The spectroscopic parameters are evaluated, and compared with available measurements. It demonstrates that the spectroscopic parameters reported here can be expected to be reliably predicted ones.     

A separable potential model for N-N interaction (II)

A two-term separable potential model for the N-N interaction in ¹S₀, ³S₁?³D₁, ¹D₂, ³D₂, ³D₃, ¹P₁, ³P₀, ³P₁ and ³P₂ partial waves is proposed. Its off-energy-shell behaviour is very similar to that of a local potential.     

Doppler-free high resolution spectroscopy of carbon disulphide and the effects of a magnetic field

A single-mode autoscan laser spectrometer operating in the ultraviolet in combination with a collimated molecular beam was used to measure high resolution fluorescence excitation spectra of the CS₂ V ¹B₂ ← X ¹Σ⁺ _g transition under collision-free conditions, and the effects of a magnetic field were measured. Rotational and vibrational levels were fully resolved, and Zeeman splittings were observed in many of the perturbed lines. The Zeeman interaction was observed to induce new perturbation, which induces new transitions, level splitting, and energy shift. When the magnetic field strength was changed, the magnitude of the interaction, which was observed in the absence of a magnetic field, changed dramatically depending on the energy shifts of the Zeeman components. It is shown that the V ¹B₂(¹Δ_u) state is mixed with the B₂(³A₂) component by first-order spin-orbit interaction, and through the mixed component, the Zeeman interaction between the V ¹B₂(¹Δ_u) and ³A₂(³Δ_u) states is induced. Large Zeeman splittings were observed for most of the background lines of weak intensity, and this demonstrates that the background levels are levels of the ³A₂(³Δ_u) state. The fluorescence decays of single Zeeman components were observed to be single exponential. The lifetimes of the perturbing ³A₂(³Δ_u) levels were determined by deperturbation analysis. Triplet-triplet ³A₂(³Δ_u) → ³B₂(³Σ⁺ _u) emission was confirmed. It was demonstrated that the quenching of the V ¹B₂ → X ¹Σ⁺ _g fluorescence by a magnetic field was caused by mixing of the ³A₂ state with the V ¹B₂ state and the resulting increase of triplet-triplet emission. In a time-dependent picture, the intersystem crossing from the ¹B₂(¹Δ_u) and ³A₂(³Δ_u) states is enhanced by the magnetic field.     

Transition densities between the 01+, 21+, 41+, 02+, 22+, 11− and 31− states in 12C derived from the three-alpha resonating-group wave functions

All the multipole transition densities between the seven T = 0 states in ¹²C are calculated with the use of the microscopic 3α resonating-group wave functions which are obtained by dynamically solving the 3α relative motion with the total antisymmetrization taken into account exactly. The observed elastic and inelastic electron scattering form factors for the transition to the 2₁⁺, 4₁⁺, 0₂⁺, 1₁^?and 3₁^? states are well reproduced with no additional effective charge. The existence of a deformed intrinsic state for the 0₁⁺, 2₁⁺and 4₁⁺states is deduced by the analysis of the transition densities between them which are derived by the weak-coupling-type 3α wave functions; the intrinsic density distribution is illustrated. The monopole density distribution of the 0₂⁺, 2₂⁺ and 1₁^?, states is found to be much longer ranged than that of the 0₁⁺, 2₁⁺ and 4₁⁺ states; the 3₁^? state case is intermediate. On the basis of the transition densities between the 0₁⁺, 2₁⁺, 0₂⁺ and 2₂⁺ states, analysis is made of the transition between the shell-like states and the molecule-like states with a large spatial-structure change. Specific, effective nucleon-nucleon interactions are folded into the transition densities here obtained. The evident dependence of the radial shape of the folded nucleon-¹²C form factors on the choice of the interactions and the multi-step form factors for the excitation of the 0₂⁺, 1₁^? and 3₁^? states are discussed.     

作用表示波动方程中与面有关项

这篇短文的内容是:(i)对於量子场论中的i(δψ[σ])/(δσ(x))=V(x,σ)ψ[σ] 如何由寻常的“曲面上的薛定谔方程”导出,作一个较严格的讨论,以及 (ii)讨论上式中的V(x,σ)在什么条件下不包含有σ。我们证明了所需的条件是 (?L^I)/(?φ_μ) (?L^I)/(?φ_ν)=(?²L)/(?φ_μ?φ_ν)F(φ,φ_ρ),式中L,L^I代表总拉格朗日及作用拉格朗日,φ代表场量,φ_μ代表φ/x^μ,F(φ,φ_ρ)代表φ及φ_μ的一个任意函数。     

HD+2，H+3和D+3与固体相互作用和三体尾流效应

从分子离子H⁺₃及其氘化同位素分子离子D⁺₃和HD⁺₂与超薄固体膜相互作用发生库仑爆炸为基础,分析讨论了H⁺₃,D⁺₃和HD⁺₂三种分子离子的形成机理,根据产物能谱分布,利用库仑爆炸技术确定了同位素分子离子HD⁺₂的结构形式,给出具体核间距数值.并确定在实验中不存在线状结构的HD⁺₂.提出一种三原子分子离子和固体相互作用中尾流效应的处理方式,通过和实验结果做比较发现这是一种非常理想的处理三体尾流效应的模式,并用之进一步确认了HD⁺₂的结构形状.文章对H⁺₃,D⁺₃和HD⁺₂三种分子离子的实验结果做了对比和讨论. 关键词： +₂')" href="#">微团簇HD⁺₂ +₃和D⁺₃')" href="#">H⁺₃和D⁺₃ 库仑爆炸 三体尾流势 团簇结构     

具有广义协变的包含重力场贡献的重力场方程

利用半度规λ^(α)_μ表象的数学工具定义一个对广义坐标具有协变形式的重力场矢势函数ω^(α)_μ≡-cλ^(α)_μ，给出一个具有广义协变的包含重力场贡献的重力场方程R_μν-g_μνR/2+Λg_μν=8πG(T^(Ⅰ)_μν+T^(Ⅱ)_μν) 关键词： 重力场方程 协变形式 能量-动量张量 量子化     

Co57 and Fe57 mössbauer studies of the spinels FeCo2O4 and Fe0.5Co2.5O4

Mössbauer source and absorber spectra of FeCo₂O₄ and Fe_0.5Co_2.5O₄ have been obtained between 82 and 523 K. Interpretation of the spectra allow the cation distributions of the compounds to be determined. FeCo₂O₄ is Co²⁺_0.55Fe³⁺_0.45[Co²⁺_0.45Fe³⁺_0.55Co³⁺_1.0]O₄ and Fe_0.5Co_2.5O₄ is Co₁²⁺[Fe³⁺_0.5Co³⁺_1.5]O₄. Spinel tetrahedral site quadruple splitting is observed in both compounds.     

Observation of the ν3 Raman band of S3− inserted into sodalite cages

The S₃⁻ radical anion is observed in several systems: non‐aqueous polysulfides solutions, doped alkali halides, ultramarine pigments (UP) for which S₃⁻ is the blue chromophore and S₂⁻ is the yellow one and pigments of zeolite 4A structure. The S₃⁻ ion has C_2V symmetry, and therefore its three vibrational modes should be observed in the Raman and in IR spectra. In resonance Raman spectroscopy, only the symmetric stretching mode ν₁ and the bending mode ν₂ have been observed, whereas the anti‐symmetric stretching mode ν₃ has never been observed whatever the system. In this work, we confirm that ν₃ is not observed in solutions with resonance Raman spectroscopy. However, our investigation of several blue UP, with various concentrations of S₂⁻, shows that there is a superposition of two bands at ca 590 cm⁻¹: the first is assigned to ν (S₂⁻) and the second to ν₃ (S₃⁻). With the 457.9 nm excitation line, for which the resonance conditions are simultaneously fulfilled for S₂⁻ and S₃⁻, the band at ca 590 cm⁻¹ is the sum of the contributions of both ν (S₂⁻) and ν₃ (S₃⁻) vibrations, while, with the 647.1 nm line, which only satisfies the resonance conditions of S₃⁻, the band at ca 584 cm⁻¹ must be assigned only to ν₃ (S₃⁻). Furthermore, ν₃ (S₃⁻) is observed in green UP and in pigments of zeolite structure. The ν₃ vibration of S₃⁻, which is observed neither in polysulfide solutions nor in doped alkali halides in resonance Raman conditions, can therefore be observed when this species is inserted into the β‐cages of the sodalite or of the zeolite 4A structures. So, the band at ca 590 cm⁻¹ cannot always be assigned to S₂⁻ in these systems. This implies that the concentration of S₂⁻ in UP must be reconsidered. Copyright © 2007 John Wiley & Sons, Ltd.     

磁畴壁在复合外场中的运动方程及其在磁弹性内耗的应用

在以速率α匀速增加的磁化场中,测量铁磁性材料的内耗时,材料中畴壁所受的力除了外加磁化场所提供的主驱动力A₀⁰+A₁⁰αt,以及测量内耗所用交变应力所提供的微扰交变驱动力A₃⁰sinωt之外,经分析表明,还存在一项在数值上与主驱动力及交变驱动力的乘积成正比的交互作用驱动力,可写为A₂⁰sinωt。这里的A₀关键词：     

DIRECT UPCONVERSION SENSITIZATION LUMINESCENCE OF Ho(0.1)Yb(5):OXYFLUORIDE VITROCERAMICS

This paper studies the upconversion luminescence phenomenon of the Ho,Yb co-doped oxyfluoride vitroceramics. There is one group of strong upconversion luminescence lines positioned at 536.5nm, 18639cm^-1; 540.5nm, 18501cm^-1; 544.0nm, 18399cm^-1, which is easily identified as the transitions of ⁵S₂→⁵I₈. There are other splendid upconversion luminescence lines, which are ⁵S₂→⁵I₇,⁵F₅→⁵I₈,⁵G₆→⁵I₈, (⁵G³G)₅ →⁵I₈,(³F³H⁵G)₄→⁵I₇,⁵G₄→⁵I₈ and (⁵G³H)₅→⁵I₈. It is also found that an interesting kind of upconversion cooperative radiation fluorescence comes from a kind of coupling state of clusters consisting of two Yb³⁺ ions.     

Comparative study of the semiempirical three-parameter potential energy functions for diatomic molecules

A comparative study is made of four three-parameter semiempirical potential energy functions for 32 electronic states of diatomic molecules and their ions:n ₂:X¹gS _g ⁺ ,B ³π_g,A ³ gS_u,C ³ _u,B′ ³ gS_u.a ¹ π_g, a′gS _u ^? ,Ω ¹δ_u N ₂ ⁺ :X ² gS _g ^gS +A ² π,C ² gS _u ⁺ ,B ² gS _u ⁺ CO:X¹gS⁺,a ³ π, a′³ gS_u,e ³ gS^?,d ³gD₁,A ¹π CO⁺:X²gS⁺,A ² π,B ²gS⁺ O₂:X³gS _g ^? ,B ³ gS_u,c ¹ gS _u ^? ,b ¹gS _g ^s ,a ¹ δ_g,c ³ δ_u O ₂ ⁺ :X ²π_g,A ² π_g, a¹ π_g,b ⁴ gS _g ^? A program for numerically integrating the radial Schrödinger equation by the Cooley method is worked out. Certain additional units are introduced to conserve computer time. The resulting vibrational levels are compared with the experimental levels for all the electronic states studied. It is concluded on the basis of this analysis that it is not possible to describe equally well all the electronic states of various molecules on the basis of any single three-parameter potential function. A method for choosing a potential function for describing some particular electronic state of a diatomic molecule is proposed.     

空间羣算符的矩阵元

本文首先通过对波失星直接乘积的分析指出,如果 ^*K″∈^*K?^*K′,则波矢峯G_k″可以有下面四种情况:A)G_k同G_k′,是G_k″的子峯,B)G_k=G_k′=G_k″,C)G_k″=G_s, D)G_s是G_k″的子峯。根据上述四种情况,分别考虑积分A=μ″^i″(k″)|f_μⁱ(k)|f_μ′^i′(k′)>的简约。并且证明,对所有四种情况,积分A的值均可由短阵U的矩阵元统一地表达出来。矩阵U是使可约表示Г′简约的转换矩阵,对四种情况,可约表示Г′分别是:A)(Г_kⁱ?Г_k′^i′)^(?),B)Гⁱ?Г_k′^i′,C)Г_k^i(s)?Г_k′^i′(s),D)(Г_k^i(s)?Г_k′^i′(s))^(?)。最后,利用准投影算符的方法,对矩阵U进行了计算,导出空间峯Wigner-Eckart定理的表式。     

Mechanisms of creation and destruction of polyhalide V centers in irradiated AHC

The mechanisms of creation and destruction of polyhalide V centers in AHC were modeled by the MNDO semiempirical quantum-chemical method. It is shown that X ₃ ⁻ molecules dissociate from the ground state into X ₂ ⁰ and X⁻ and from the triplet state into X ₂ ⁻ and X⁰, whereas X ₅ ⁻ and X ₇ ⁻ molecules dissociate into X ₃ ⁻ and X ₂ ⁰ and X ₅ ⁻ and X ₂ ⁰ , respectively. At room temperatures, X ₃ ⁻ or larger aggregates, which consist only of X ₃ ⁻ centers, form stable polyhalide V centers. It is shown that the thermal stability decreases when going along the series X ₃ ⁻ , X ₅ ⁻ , and X ₇ ⁻ . The radiation-induced instability of stable F centers in AHC at room temperatures is associated with the destruction of X ₃ ⁻ centers and the thermal instability of X ₅ ⁻ and X ₇ ⁻ centers. E. A. Buketov Karaganda State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 50–54, March, 2000.     

Optical absorption and photoluminescence studies of Eu-doped phosphate and fluorophosphate glasses

Phosphate (P₂O₅+K₂O+BaO+Al₂O₃+Eu₂O₃) and fluorophosphate (P₂O₅+K₂O+BaO+BaF₂+Al₂O₃+Eu₂O₃) glasses with different Eu³⁺ ion concentrations have been prepared and characterized through optical absorption, photoluminescence and decay times. An intense red luminescence is observed from the ⁵D₀ emitting level of Eu³⁺ ions in these glasses. The relative luminescence intensity ratio of ⁵D₀→⁷F₂→⁵D₀→⁷F₁ transitions has been evaluated to estimate the local site symmetry around the Eu³⁺ ions. The emission spectra of these glasses show a complete removal of degeneracy for the ⁵D₀→⁷F₁ and ⁵D₀→⁷F₂ transitions. Second and fourth rank crystal-field (CF) parameters have been calculated together with the CF strength parameter by assuming the C_2v symmetry for the Eu³⁺ ions in both the phosphate and fluorophosphate glasses. Judd-Ofelt parameters have been evaluated from the luminescence intensity ratios of ⁵D₀→⁷F_J (J=2, 4 and 6) to ⁵D₀→⁷F₁ transitions. These parameters have been used to derive radiative properties such as transition probabilities, branching ratios, radiative lifetimes and peak stimulated emission cross-sections for the ⁵D₀→⁷F_J transitions. Decay curves of the ⁵D₀ level of Eu³⁺ ions in these two Eu³⁺:glass systems have been measured by monitoring the ⁵D₀→⁷F₂ transition (611 nm) at room temperature. The experimental lifetime of the ⁵D₀ level in the title glasses is found to be higher than Eu³⁺-doped niobium phosphate glasses. The analysis indicates that the lifetime of the ⁵D₀ level is found to be less sensitive to the Eu³⁺ ion concentration and addition of BaF₂ has no significant effect on the optical properties of Eu³⁺-doped phosphate glasses.     

Electronic spectra of mono-substituted chromates

The electronic spectra of monosubstituted chromate ion derivatives, CrO₃X^-, where X^-=F^-, Cl^-, Br^- and IO₃ ^-, have been measured at liquid helium temperature, employing a variety of sample forms. The observed electronic transitions correlate simply and directly with those of CrO₄ ^2-, the lowest-lying transitions being only very weakly perturbed. Of particular interest is that the lowest excited state ¹ E^a retains the peculiarities of the ¹ T ₁ parent state of CrO₄ ^2-. The sharp line spectrum observed in Cr₂O₇ ^2- between 18 000 and 19 000 cm^-1 is identified as ¹ E^a (¹ T ₁ in T _d) ←¹ A ₁ in a single O₃CrO⁼ chromophore. It is suggested that the observed features of the low-lying absorption bands can be explained by assuming that two spin-triplet states [³ E, ³ A ₂] are located a few hundred wave numbers above the sharp 0-0 line of ¹ E^a ←¹ A ₁.     

Selenium dioxide: Vibrational analysis of the 3130 Å1B2-X̃1A1 absorption system

The B absorption system of the three isotopic species ⁷⁸Se¹⁶O₂, ⁸⁰Se¹⁶O₂, and ⁷⁸Se¹⁸O₂ have been comparatively studied in the vapor phase. The 0_0⁰ band is at 31955.0/31957.4/31963.9 cm^?1, respectively. The main vibrational structure is due to 1_0ⁿ2_0^m progressions, with maximum intensity at n ～ 6. The stronger progressions are those with m = 0, 1, 2, 3. The progressions are severely perturbed. The molecule is bent in both of the combining electronic states. In the ground state for the (80, 16) species, ν₁″(a₁) = 922.6, ν₂″(a₁) = 372 cm^?1. In the electronically excited state, identified as ¹B₂, ν₁′, and ν₂′ have the approximate values 649 and 258 cm^?1, respectively. Evidence is presented in favor of a double-minimum potential function with respect to Q₃′, the band 3_0¹ being observed with appreciable intensity. The height of the potential barrier is about 600 cm^?1.