Radiative and Auger transitions of core-excited states for the boron isoelectronic sequence

We introduce an approach for the characterization of quantum correlations in two-fermion systems based upon the state disturbances generated by the measurement of “local” observables (that is, quantum observables represented by one-body operators). This approach leads to a concept of quantum correlations in systems of identical fermions different from entanglement.     

Mechanisms of spontaneous two-electron emission from core-excited states of molecular CO

We demonstrate that the observation of slow electrons emitted in the decay of molecular core-excited states can be a sensitive probe of the double Auger processes, and that in combination with electron-electron coincidence spectroscopy, it can provide clear insight into the mechanisms involved. The present study identifies all cascade Auger paths from the C1s-to-Rydberg states in CO to final states of CO2+. One pathway includes the first directly identified case of molecular level-to-level autoionization of a cation and shows remarkable selectivity for a specific final state.     

Coriolis coupling in degenerate vibronic states of spherical top molecules

The first-order contribution of coriolis coupling to the rotational energies of degenerate vibronic states of spherical top molecules is considered for both even and odd numbers of electrons in octahedral or tetrahedral molecules. For E vibronic states the contribution vanishes, while for F ₁, F ₂, E _1/2 and E _5/2 states simple formulae are given. For G _3/2 states the energies are in general complicated, but simple formulae are given for two limiting cases.     

BCl3分子振动频率的同位素效应

利用密度泛函B3LYP方法与耦合簇CCSD方法,结合全电子高斯基函数,计算了¹⁰BCl₃和¹¹BCl₃分子的基态平衡几何和谐振频率,进而得到了分子伸缩振动模式的同位素位移.计算检验了芯-价电子关联、标量相对论效应,以及基组外推对分子几何结构、振动频率和同位素位移的影响;结果表明,高阶修正效应对同位素位移的影响很小,并分析了其原因.同时得到了不同Cl/B同位素分子体系的同位素位移.研究对激光分离同位素技术中激光中心波长的选择具有重要参考意义.     

C~+离子内壳激发共振态1s2s(~3S)2p~3的Auger能量和Auger分支率(英文)

利用精确的鞍点变分波函数和鞍点复数转动方法,计算了C⁺离子五电子原子系统内壳激发共振态1s2s（³S）2p^32,4P°,^2,4D°的俄歇能量和俄歇分支率,考察了俄歇跃迁的收敛性,对300 keV C⁺离子和CH₄气体碰撞实验产生的高分辨率俄歇电子谱进行了标定,并指出这些类硼C⁺离子的内壳激发共振态对253～273 eV范围的实验谱线有重要贡献.本文计算结果与实验数据符合得很好.     

C+离子内壳激发共振态1s2s(3S)2p3的Auger能量和Auger分支率

利用精确的鞍点变分波函数和鞍点复数转动方法,计算了C+离子五电子原子系统内壳激发共振态1s2s(3S)2p3 2,4Po, 2,4Do 的俄歇能量和俄歇分支率,考察了俄歇跃迁的收敛性,对300-keV C+离子和CH4气体碰撞实验产生的高分辨率俄歇电子谱进行了标定,并指出这些类硼C+离子的内壳激发共振态对253-273eV范围的实验谱线有重要贡献. 本文计算结果与实验数据符合得很好.     

Single-particle proton admixtures in core-excited states of Bi

At least 18 states up to 3.5 MeV of excitation have been observed in the ²⁰⁶Pb(³He, d)²⁰⁷Bi reaction at 35 MeV. The experimental spectrum and spectroscopic factors are in fair agreement with the predictions of the weak-coupling model up to an excitation energy of 2.5 MeV.     

Structural form of vibronic intensities in vibronic induced transitions

A general method for calculating the overall shape of the spectrum of vibronic induced transitions in transition-metal ion systems is developed. The vibronic structure is expressed in terms of a weighted sum of medium induced lorentzian lines located at the frequencies of the fundamental odd vibrations of the complex. Each of these lines is followed by a series of vibronic lines assigned to the combination frequencies with one or more even vibrations. The relative intensities of these combination lines are determined by the values of an intramolecular distribution which includes both the effects of geometry and frequency changes of the modes involved in the transition. Values of the linear and the quadratic parameter for the molecule can be estimated from a fit to the experimental spectra.     

类锂离子内壳激发1s2s2 2S态的电离势和Auger跃迁率

采用鞍点变分方法和鞍点复数转动方法,并考虑相对论修正、质量极化效应,计算了类锂等电子系列(Z=10～20) 1s2s2 2S态的电离势、Auger跃迁率和辐射跃迁率.同时还计算了QED效应和高阶相对论修正对电离势的贡献.     

3 to 15 keV Ar+ induced Auger electron emission from Si and Ar

Ar⁺ induced Auger electrons from Si and Ar were investigated at bombardment energies between 3–15 keV and target currents of a few μA. The Auger electron yields were compared with secondary ion yields of Si and Ar by simultaneous SIMS-AES measurements. In the ion induced Auger spectra of Si five Auger peaks and in the Ar spectra three Auger peaks were observed. The ion induced Auger electron yield of Si and Ar were found to be strongly dependent upon the primary ion energy. “Bulk like” and “atomic like” Auger transitions of ion induced Auger electrons of Si were observed.     

Direct emission and Auger decay from multiplet final states in Zr observed by ultraviolet photoemission CFS techniques

Photoemission techniques have been used to investigate the structures accompanying excitation of shallow p-core states in crystalline Zr. The continuum nature of synchrotron radiation has been exploited between hv = 20 and 45 eV to determine the Constant Final-state-energy Spectra (CFS) over a range of kinetic energies of the emitted electrons. The results reveal strong direct emission from the multiplet final states and indicate that the final states are broadened by configuration interaction. Auger processes appear to be a probable mode of decay of the p-hole. Secondaries resulting from the Auger processes give rise to structures in the CFS's which compare well to structures in the optical absorption coefficient.     

Raman and parametric emission from excited states induced by collisions

A collisional energy transfer in the wings of Na 3p and between Na₂ A ¹ _u ⁺ and na 3p states has been used to excite a number of stimulated emissions in the near-ir region of 800–850 nm. The detailed study reveals Raman and parametric emission involving 3p, 3d, 4p, and 4d levels of Na. Two tunable dye lasers in the visible provide the pump waves.     

g-Factors in 210Rn and octupole coupling of core-excited states in 210Rn, 211Rn and 212Rn

The g-factors of isomeric states in ²¹⁰Rn have been measured using the TDPAD technique. Semi-empirical shell-model calculations, with explicit inclusion of the couplings to the 3⁻octupole vibration, are carried out for the core-excited states in ²¹⁰Rn and ^211,212Rn. The resulting mixed multi-particle configurations are used to explain simultaneously the g-factors and enhanced E3 transitions which connect several pairs of these states.     

The splitting of low-lying states for hydroxyl molecule under spin--orbit coupling

The splitting of potential energy curves for the states $X^{2}\Pi _{3/2}$, $^{2}\Pi _{1/2}$ and $A^{2}\Sigma ^{ +}$ of hydroxyl OH under spin--orbit coupling (SOC) has been calculated by using the SO multi-configuration quasi-degenerate perturbation theory (SO-MCQDPT). Their Murrell--Sorbie (M--S) potential functions have been derived, then, the spectroscopic constants for $X^{2}\Pi _{3/2}$,$^{ 2}\Pi _{1/2}$ and $A^{2}\Sigma ^{ + }$ have been derived from the M--S function. The calculated dissociation energies for the three states are $D_{0}$[OH($X^{2}\Pi _{3/2})$]=34966.632cm$^{-1}$, $D_{0}$[OH($^{2}\Pi _{1/2})$]=34922.802cm$^{-1}$, and $D_{0}$[OH($A^{2}\Sigma ^{ + })$]=17469.794cm$^{-1}$, respectively. The vertical excitation energy $\nu [ {{ }^2\Pi _{1/2} ( {\nu = 0} ) \to {X}{ }^2\Pi _{3/2} ( {\nu = 0} )} ] = 139.6{\rm cm}^{-{\rm 1}}$. All the spectroscopic data for the $X^{2}\Pi _{3/2}$ and $^{2}\Pi _{1/2 }$ are given for the first time except the dissociation energy of $X^{2}\Pi _{3/2}$.     

Auger electron emission by ion bombardment of light metals

The energy distribution of secondary electrons ejected from a metallic target upon ion bombardment (Ar⁺, 10 keV) is studied with a 180° magnetic analyser, particularly in the vicinity of the Auger peaks that appear in the electron spectra of the light metals (Li, Be; Na, Mg, Al, Si). A qualitative explanation based on the correlation diagrams which described the evolution of the electronic levels during the collision of two atoms inside the target is proposed to interpret the variation of the Auger peak intensity with the atomic number of the target.     

Electronic states of the CeO molecule: Absorption,emission, and laser spectroscopy

The electronic spectrum of the CeO molecule is characterized by the existence of many 0-0 bands resulting from transitions between various Ω components of excited states and the 16 lower Ω states which arise from the lowest configuration… (4f)(6s). Classical studies of rotational structure of absorption and emission spectra have been extended, and argon-ion and tunable dye (coumarin 460, rhodamine 6G, rhodamine 101) lasers have been used to excite known transitions in bands which had previously been rotationally analyzed. The resulting fluorescence spectra have been used to establish the relative energies of the lower states. By tuning the lasers to excite analyzed transitions from different known electronic states it has been possible to determine the energies of 16 low-lying states, to assign quantum numbers to 14 with certainty, and to suggest assignments for the other 2. The resulting energy level diagram of lower states is discussed and shown to correlate well with the 4f6s configuration of the Ce²⁺ ion. From the energies of the low-lying states, those of the higher excited states are calculated and in some cases new values of vibrational and rotational constants are derived.     

Interatomic Auger processes and the density of states

The correlation between the line shape of Auger peaks and the density of states near the surface has been the subject of recent controversy. In certain cases, it has been possible to obtain the density of states by numerical deconvolution of a KVV peak (Amelio, 1970) or directly using a KLV peak (Cardona et al., 1973). However, the extension of this technique to transition metals (Cu, Zn) has encountered serious difficulties, related to the perturbation created by the presence of localized charges either in the initial or in the final state, although it is not yet clear why this perturbation is strong only in certain cases. The purpose of the present communication is to show a series of results that can throw some light on the abovementioned problem. The main point is that Auger processes of interatomic type, as those occurring in the INS technique of Hagstrum, are free of these perturbations. Recently, the authors have studied the line shape of the Auger peaks of O, C, N and S adsorbed on Cu, Ni and Fe. These results show that only that part of the Auger structure originated by interatomic transitions between substrate and adsorbate atoms can be related to the local density of states (LDOS). The rest of the structure, due to normal intraatomic processes, is dominated by the spectral terms in the final configuration of the ion. This new interpretation allows a separation of perturbation effects and clarifies the contribution of the LDOS to the peak line shape. In this communication, we present the line shape analysis of the L_2,3 VV and KVV Auger peaks of Mg and O in MgO. Due to the strong ionic character of this compound, the L_2,3 VV peak of Mg⁺⁺ is mainly due to interatomic processes between Mg⁺⁺ and O⁼ ions, whereas the KVV peak of O is mainly due to interatomic processes. This analysis shows that good agreement exists between the L_2,3VV Mg⁺⁺ Auger peak and the self-convolution of MgO density of states, whereas the KVV Auger peak of O⁼ is dominated by the spectral terms of the final configuration. Only a small peak in the high energy side of the latter peak can be related to the density of states and could be interpreted as an interatomic transition between two neighboring oxygen ions, in agreement with the interpretation given by others.