f Electron contribution to the change of electronic structure in CeRu2Si2 with temperature: a Compton scattering study

High resolution Compton profiles have been measured in the single crystal of CeRu(2)Si(2) above and below the Kondo temperature to elucidate the change of the Ce-4f electron from localized to itinerant states. Two-dimensional electron occupation number densities projected on the first Brillouin zone, which are obtained after a series of analyses, clearly specify the difference between itinerant and localized states. The contribution of Ce-4f electrons to the electronic structure is discussed by contrast with a band calculation.     

Configuration interaction study of single and double dipole plasmon excitations in Na8

We carry out a microscopic analysis of the ground and excited states of the Na₈ metal cluster within the jellium model. We perform a series of configuration interaction calculations on a Hartree–Fock basis and construct eigenstates of the Hamiltonian which carry up to 4-particle 4-hole components. Based on the analysis of the dipole transition strengths, we single out those states which can be interpreted as the collective dipole plasmon and its double excitations. These modes are found to possess a high degree of harmonicity, deviations from the harmonic limit remaining, however, of the order of 10%.     

An analysis of energy differences in atomic multiplets in connection with the inequality formulation of Hund's rules

A detailed consideration is given of a recent reformulation of Hund's rules in terms of inequalities. The interpretation of Hund's rules is reconsidered assuming that each energy level is known exactly in the restricted Hartree-Fock approximation. Some general theorems and series expansions are derived for energy differences between atomic states. As is now well known, the state of lower energy in a multiplet has the higher expectation value for the electron-electron repulsion, especially in neutral systems. The behaviour of this repulsion is analysed in terms of the Fermi hole and the contraction of the wavefunction which one finds for the state of lowest energy. Numerical examples are given for the ¹P and ³P states of the He isoelectronic series, the ¹S, ¹D and ³P states of the C and O series and the ²P, ²D and ⁴S states of the N series.     

Eu原子偶宇称高激发态的场电离探测

利用共振激发技术和电场电离(EFI)方法研究了铕(Eu)原子偶宇称高激发态。实验共探测到89个态,其中报道了56个态的能级位置和光谱归属等信息。经过对有效主量子数和量子亏损进行理论分析,并结合文献结果的对比,不但认定它们属于4f76s(9S)np(8PJ或10PJ)里德伯系列,还填补了该系列中n=19～39各态的文献空白。另外,建议将Eu原子第一电离限修正为45734.2cm-1,同时解释了在其附近所观察到的宽峰的物理机制。     

Mn22+离子1s23d1s2nf的跃迁能和振子强度

用全实加关联方法计算了类锂Mn22 离子1s23d-1s2nf(4≤n≤9)的跃迁能和1s2nf(n≤9)态的精细结构,在类氢近似下估算了对能量的高阶相对论修正.依据量子亏损理论,确定了Rydberg系列1s2nf的量子数亏损,据此可以实现对任意高激发态(n≥10)的能量的可靠预言.计算了Mn22 离子1s23d-1s2nf(4≤n≤9)偶极跃迁的振子强度.     

{Quantum Algebras and q-Special Functions Related to Coherent States Maps of the Disc

The quantum algebras generated by the coherent states maps of the disc are investigated. It is shown that the analytic realization of these algebras leads to a generalized analysis which includes standard analysis as well as q-analysis. The applications of the analysis to star-product quantizations and q-special functions theory are given. Among others the meromorphic continuation of the generalized basic hypergeometric series is found and a reproducing measure is constructed, when the series is treated as a reproducing kernel. Received: 4 April 1996 / Accepted: 29 June 1997     

Cr~(21+)离子1s~23d-1s~2nf的跃迁能和偶极振子强度(英文)

用全实加关联方法计算了类锂Cr21+离子1s23d-1s2nf(4≤n≤9)的跃迁能和1s2nf(n≤9)态的精细结构.在类氢近似下估算了对能量的高阶相对论修正.依据量子亏损理论,确定了Rydberg系列1s2nf的量子数亏损.据此可以实现对任意高激发态(n≥10)的能量的可靠预言.计算了Cr21+离子1s23d-1s2nf(4≤n≤9)跃迁的振子强度.与量子亏损理论相结合,得到该离子从1s23d态到电离阈附近高激发束缚态间的偶极跃迁振子强度以及到相应连续态跃迁的振子强度密度,从而将Cr21+离子的这一重     

The study of autoionizing states of the samarium atom

The investigation of the samarium (Sm) atom autoionizing states, belonging to the 4f⁶ 6pnl and 4f⁵ 5d6snl (l=0, 2) configurations, has been carried out by using a three-step isolated-core-excitation (ICE) scheme. Fifty-seven new autoionizing states of the Sm atom have been observed in the energy region between 60,700 and 66,500 cm^?1. These autoionizing states are classified into five autoionization series in the light of different ionization limits. In most cases, the transition profiles of these autoionizing states are nearly symmetric, from which the peak positions and widths can be easily obtained by Lorentzian-profile-fitting procedure. Some autoionizing states have multi-peak profiles whose spectroscopic properties are analyzed in order to understand the complicated structures.     

Quantum hall states and boson triplet condensate for rotating spin-1 bosons

We propose and analyze two series of clustered quantum Hall states for rotating systems of spin-1 bosons. The first series [labeled SU(4)(k)] includes the exact ground states of a model Hamiltonian at large angular momentum L, and also for N=3k particles at L=N. The latter is a spin-singlet boson-triplet condensate. The second series, labeled SO(5)(k), includes exact ground states at large L for different parameter values.     

Eu原子4f~76p_(3/2)ns自电离态的光谱的研究(英文)

采用孤立实激发技术,对铕原子4f~76p_(3/2)ns(n=7,8)自电离态的光谱进行了系统的研究,同时是首次在不同激光偏振组合下进行的研究。首先,用前两束激光分步将铕原子从基态4f~76s~2经中间4f~76s6p态激发至4f~76sns里德堡态,然后再用第三束激光通过离子实4f~76s~+→4f~76p~+_(3/2)的跃迁将其进一步激发至4f~76p_(3/2)7s自电离态或4f~76p_(3/2)8s自电离态。对铕原子4f~76p_(3/2)ns(n=7,8)自电离态复杂的光谱分别给出了详细的解释,从中我们可以获得一些重要的光谱信息,比如自电峰的能级位置和线宽等,同时还可以观察到收敛于不同离子限的自电离系列之间的组态相互作用。最后,通过比较不同激光偏振组合下的自电离光谱,确定了一些自电离态的总角动量的值。     

Assignment of the VUV electronic spectrum of allene

Early assignments of the vacuum UV photoabsorption spectrum of allene (1951-1972) gave a number of Rydberg series, but these series had limiting values for the ionization potential, which are incompatible (by up to 0.4 eV) with more recent adiabatic IPs from molecular beam and high resolution photoelectron spectra (UV-PES). We have performed a re-analysis of the VUV spectrum of allene by a combination of overlay of the VUV and UV-PES spectra which leads to new experimental assignments. Major differences in assignment to the early studies are reported, and these include the lowlying Rydberg states, which are now assigned as follows: 6.55 (3s), 7.2 (3p), 8.15 (3d), and 8.25 eV (4s), respectively, with further assignments up to 6s, 6p, and 6d.     

Application of electric field ionization method to detect the high-lying Rydberg states of Eu I

The 4f~76s(~9S)np 8 P J (J = 5/2, 7/2, 9/2) Rydberg series converging to the first ionization limit 4f 7 6s 9 S 4 of the Eu atom using the three-step laser excitation and electric-field-ionization (EFI) method are studied. First, the Eu atom is excited from the 4f 7 6s 2 8 S o 7/2 ground state to the 4f 7 6s7s 8 S o 7/2 state through the 4f 7 6s6p 10 P 9/2 state by the first two dye lasers. Next, it is populated to many higher-n members of the 4f 7 6s( 9 S)np 8 P J Rydberg series by the third dye laser whose wavelength is scanned within a certain range. Finally, the atom in these higher-n states is ionized by the external pulsed electric field. With the field strength up to 2 kV/cm, we can detect the atom in 4f 7 6s(9 S)np 8 P J states with n 40. With the given laser line width, the level energies of Rydberg states with n as high as 72 can be determined. We not only confirm the previous data on the 4f 7 6s(9 S) np 8 P J Rydberg series, but also extend the n-value assignment significantly by detecting more states.     

Practical quantum cryptography

A quantum cryptography system based on a 4-basis protocol with geometrically uniform states is tested in a series of experiments. Quantum states of light transmitted through real fiber optic communication channels to a distance of 32 km in the presence of uncontrolled external actions are prepared, transformed, and measured. It is shown that the chosen algorithms of processing quantum information are adequate and can be used as foundations of practical devices in protected communication lines.₁     

L'Étude de la Structure Électronique des Métaux des Terres Rares

In rare earth metals, one can neglect interactions between 4f shells centred on neighbouring sites. The conduction band is occupied by three sd electrons (eventually two in europium and ytterbium). These sd electrons are coupled to the f electrons through an interaction of the form where s _e is the spin of a conduction electron and Sf _i the spin of the ith f electron of a given ion. It is therefore possible to consider two groups of properties:

1. The ones, related to the nature of the conduction electrons, change very little through the series: this is the case of the crystalline structure, of the atomic volume.

2. The others, such as the magnetic properties, are related to the internal shells and vary with the filling of the 4f shell. Experiment shows a correlation between those two groups of properties. De Gennes formalism, essentially valid in the hypothesis of tightly bound 4f electrons, gives a satisfactory picture of the properties of the metals in the second half of the series, but it does not give as good a picture for the first rare earth metals, especially for cerium. In the cerium free atom, the 4f, 5d, 6s states have comparable energies and one might think that, in the trivalent metal, the 4f states are broadened in energy by resonances with the extended sd states, but still do not overlap from one atom to the other. They would then occupy virtual bound states analogous to the virtual bound states described by Blandin and Friedel for the transition impurities in noble metals.

An identical situation seems to occur in ytterbium under pressure: one observes a huge increase of the electrical resistivity which goes back to low values at very high pressures. This might also be the case of the actinide metals, especially of Plutonium, in which the 5f states begin to stabilize. So we have to consider two cases:

1. The 4f electrons occupy bound states.

2. The 4f electrons occupy virtual bound states.

In the first part (§ 2), we use de Gennes formalism for 4f bound states. The energy related to magnetic interactions is computed making the assumption of a spherical Fermi surface. A correlation between the crystalline structure and the magnetic properties shows up. In the second half of the series, one can neglect the crystalline field effects and the total energy is the sum of the magnetic term and of the elastic term due to the contribution of the conduction electrons. For every state of magnetic order, the crystalline structure is well defined, corresponding to the minimum of the total energy, and conversely. It is possible to explain in this manner:

1. The b.c.c. structure of europium, which is unusual for a divalent transition metal.

2. The variation of the c/a ratio of the h.c.p. structure both through the series and with temperature.

3. The anomalies in the thermal expansion coefficient observed below the magnetic order-disorder transitions.

4. The helix pitch of the magnetic configurations of this type.

The anomalies of the thermoelectric power observed at the transition points are related to the different dependences of the spin correlations above and below the transition temperatures. The agreement between theory and experiment is satisfactory. Some discrepancy can be attributed to the rather crude approximation of a spherical Fermi surface.

In the second part (§ 3), we deal with a situation where the 4f electrons occupy virtual bound states. These levels are very narrow, about 10^?2 ev wide, and separated in energy by the correlations between electrons. Using Blandin's formalism we calculate the electrical and magnetic properties associated with such a situation. Calculations lead to very strong magnetic coupling; the indirect interaction between magnetic ions is antiferromagnetic for first nearest neighbours, whereas in the case of 4f bound states it is ferromagnetic. Finally, it is possible to explain the properties of cerium and ytterbium.

1. In Cerium, the two first levels overlap at the Fermi level, in such a way that the f electron be almost entirely distributed in the first level.

2. In ytterbium, under pressure, the fourteenth level comes across and above the Fermi level. The maximum resistivity is obtained for a half filling of this level.

In the third part (§ 4), we attempt to apply this model of virtual bound states to plutonium, although in this metal, the 5f shells have a larger spatial extension than the 4f orbitals in rare earths. Anomalies in several physical properties of plutonium seem to indicate a magnetic transition at about 65° K, but no anomaly shows up in the magnetic susceptibility. Using a virtual bound state model associated with a very small polarization of the 5f states, it is possible to explain all the physical properties of plutonium. This model leads to a very small magnetic moment, that cannot be detected by experiment.     

On the Photophysical Properties of New Luminol Derivatives and their Synthetic Phthalimide Precursors

The photophysical properties of a series of structurally related 4-aminophthalimides and the corresponding 5-aminophthalic hydrazides (luminols) are reported. Absorption, steady-state, and time-resolved fluorescence spectra of luminols exhibited substitution, solvent, and pH dependence. Singlet lifetimes have been determined by time-resolved laser flash spectroscopy. UV spectra in gas phase and DMSO solution were calculated by TD-DFT which revealed the existence of two low-energy excited singlet states with strong pH-sensitivity.     

autoionizing levels in Ca: laser optogalvanic spectroscopy and theoretical analysis

We report the even parity J =4,5 autoionizing spectra of calcium below the 3d threshold, investigated by two-step laser excitation from the 3d4s metastables through the 3d4p , intermediate states and subsequent optogalvanic detection. The 3d4s states are populated by electronic collisions in a d.c. glow discharge sustained in a Ca heat-pipe. More than a hundred resonant transitions have been measured with an accuracy of for the narrow ones using standard laser calibration techniques. The high lying levels are assigned to all expected autoionizing series. Moreover, some levels are observed. The theoretical interpretation is achieved by a combination of the nearly ab initio eigenchannel R-matrix and multichannel quantum-defect (MQDT) methods as well as by an empirical determination of the MQDT parameters in the phase-shifted formulation. Theoretical energy level positions and excitation profiles are compared with the experimental data confirming the identification of the observed structures. Strong mixing between series is found, while the ones do not couple with the series. Further insight into the strong channel mixing in the studied energy range is provided by a comprehensive review of the excitation profiles in the vicinity of the 4p5p perturber as obtained from a number of intermediate levels used in the present and in earlier experiments. Systematic electron correlation trends for series of , and are discussed. Received: 20 November 1997 / Accepted: 15 January 1998     

Cooper minima in the photoemission spectra of solids

Variations of the photoionization cross section of valence states as a function of interatomic distance are studied by means of atomic and solid-state density functional approaches and compared with photoemission data. In contrast to the free atom case, a series of Cooper minima is found for 4d, 5d, and 5f states in Pd, Ag, Au, and U metals. The discovered fundamental phenomenon is of high importance for the correct interpretation of photoemission data.     

Detection of the 1pe series of doubly excited helium states below N=2 via the stark effect

The Stark effect on the doubly excited states of helium below the N=2 threshold has been studied by vacuum ultraviolet fluorescence yield spectroscopy. Two new series of states are observed at moderate fields (<10 kV/cm), and assigned to the previously unobserved even 1pe series, and a group of 1De series. The 1Se states are observed indirectly via their mixing with nearby 1 po states. The observations at moderate field contradict theoretical predictions that field strengths about an order of magnitude greater are necessary to observe the Stark effect on He doubly excited states at low quantum numbers.     

氩原子共振增强多光子电离谱--奇对称性里德堡态

利用脉冲放电产生氩原子亚稳态4s2[3/2]°2和4s′2[1/2]°0,在610～670nm波长范围内,利用共振增强多光子电离和飞行时间质谱技术得到氩原子(2+1)REMPI谱.光谱分析表明所有谱线来源于氩原子4s2[3/2]2和4s′2[1/2]°0两个亚稳态向16个奇对称性里德堡态双光子跃迁,并标识所有谱线.同时首次在实验上观察到一个长序列的3p54s′2[1/2]°0→3p5nd2[1/2]°1(n=8～31)双光子跃迁.在实验技术上,提供了一种研究惰性气体原予以及其它原子高里德堡态和自电离态的新方法.     

Aligned bands and gyromagnetic ratios in 162,164Tm

High-spin states in ¹⁶²Tm and ¹⁶⁴Tm have been studied by ^152,154Sm(¹⁴N, 4n) reactions. Measurements of γ-rays, angular distributions and γγ-coincidences were performed using Ge detectors. In each isotope, two side bands are observed besides the yrast band, which are followed up to high-spin states. An interpretation of the experimental results is proposed in the framework of the cranked shell-model. Results on gyromagnetic ratios in the yrast band of a series of odd-N Tm nuclei are presented. Magnetic properties of the side bands are also discussed.