Semiclassical calculation of the recurrence spectra of He Rydberg atom in perpendicular electric and magnetic fields

Closed orbit theory is a semiclassical technique for explaining the spectra of Rydberg atoms in external fields. By developing the closed orbit theory from two degrees of freedom to three non-separable degrees of freedom, we calculated the recurrence spectra of He Rydberg atom in perpendicular electric and magnetic fields. The closed orbits in the corresponding classical system have also been obtained. Fourier transformed spectra of He atoms have allowed direct comparison between the resonance peaks and the scaled action values of closed orbits, whereas the nonhydrogenic resonance can be explained in terms of the new orbits created by the core scattering. The semiclassical result is in good agreement with the quantum spectra, which suggests that our method is correct.     

Semiclassical calculation of Rydberg He2^＋ molecular of recurrence spectra ion in a magnetic field

Making use of the molecular closed-orbit theory and a new model potential for the Rydberg molecule, we have calculated the recurrence spectra of He^2＋ molecular ion in a magnetic field for different quantum defects. The Fourier transform spectra of He^2＋ molecular ion may be used to perform a direct comparison between peaks in the spectra and the scaled action values of closed orbits of the excited electron in external fields. We find that the spectral modulations can be analysed in terms of the scattering of the excited electron on the molecular core. Unlike the case of the Rydberg atom where the elastic scattering is predominant, modulations produced by inelastic scattering are also vital to the photoabsorption spectrum of the Rydberg molecule. Our results are in good agreement with the quantum results, which suggests that our method is correct.     

Model Potential Calculations of Oscillator Strength Spectra of Rydberg Li Atoms in External Fields

By combining the B-spline basis set with model potential （B-spline ＋ MP）, we present oscillator strength spectra of Rydberg Li atoms in external fields. The photoabsorption spectra are analyzed. Over the narrow energy ranges considered in this paper, the structure of the spectra can be independent of the initial state chosen for a given atom. Our results are in good agreement with previous high-precision experimental data and theoretical calculations, where the R-matrix approach together with multichannel quantum defect theory （R-matrix＋MQDT） was used. It is suggested that the present methods can be applied to deal with the oscillator strength spectra of Rydberg atoms in crossed electric and magnetic fields.     

Relativistic Multichannel Treatment of Krypton Spectra across the First Ionization Threshold

The relativistic multichannel theory has been extended to calculate both the eigen quantum defects μα, transformation matrix Uiα, and the eigen dipole matrix elements Dα of krypton. The Rydberg and autoionization spectra of krypton across the first ionization threshold are calculated within the framework of multichannel quantum defect theory. Our calculated spectra are in agreement with the absolute measurement data.     

Synthesis,Spectroscopic and Antimicrobial Investigations of Scandium(Ⅲ) Complexes with Four Kinds of Sulfa Drugs

Herein,this article was focused on the synthesis and discussed the spectroscopic characterizations of four new scandium(Ⅲ)sulfa-drug complexes.The nomenclature and symbols of these drugs were sulfadimidine(sulp-1),sulfanilamide(sulp-2),sulfamethoxazole(sulp-3)and sulfadiazine(sulp-4).The microanalytical and spectroscopic analyses which utilized in this study were micro-analyses,magnetic,FT-IR,UV-Vis techniques.The mid infrared spectra deduced that the four sulfa-drug chelates acts as a bidentate chelates with scandium(Ⅲ)ion via two nitrogen atoms of-NH2-Ar and-NH-SO2 groups.Also,the FTIR spectra of Sc3+complexes referred to the existed of new medium weak bands in the range of 500~400 cm^-1 due to stretching vibration bands ofν(M-N).The elemental analysis technique confirmed the 1∶2 stoichiometry between Sc3+ions and sulp ligand with molecular formula[Sc(sulp)2(Cl)2]·Cl.At room temperature,the results of magnetic measurements for the Sc(Ⅲ)complexes indicated that all of the synthesized complexes have a diamagnetic character with octahedral configuration.The electronic spectra of the free sulfa-drug ligands shows band at 275 and 310 nm which are intraligand charge transfer band.The electronic sbsorption spectra of the Sc3+complexes were recorded using DMSO solvent.The spectra of complexes display bands within 275~388 nm,which attributed toπ-π*,n-π*and charge-transfer M-LCT electronic transitions,which strongly favors the octahedral geometry around Sc(Ⅲ)metal ions.1HNMR spectra of complexes referred to the downfield proton shifts of the-NH2 and NHSO2 groups,which supported the place of coordination.The half maximal inhibitory concentration(IC50)of the ScⅢcomplexes was assessed against the human hepato cellular carcinoma(HepG-2)tumor cell line.     

Absorption and Recurrence Spectra of Nonhydrogenic Rydberg Atom Near a Metal Surface

Multielectron to theoretical treatments atoms near a metal surface are essentially more complicated than hydrogen atom with regard By using the semicalssical dosed orbit theory generalized to the multielecton atoms, we study the dynamical properties of the Rydberg lithium atom near a metal surface. The photoabsorption spectra and recurrence spectra of this system have also been calculated. Considering the effect of the ionic core potential of the Rydberg lithium atom, the number of the closed orbits increases, which leads to more peaks in the recurrence spectra than the case of hydrogen atom near a metal surface. This result shows that the core-scattered effects play an important role in nonhydrogenic atoms. This study is a new application of the closed-orbit theory and is of potential experimental interest.     

Stark spectrum of barium in highly excited Rydberg states

We present observations of Stark spectra of barium in highly excited Rydberg states in the energy region around n = 35. The one-photon excitation concerns the π transition. The observed Stark spectra at electric fields ranging from 0 to 60 V·cm-1 are well explained by the diagonalization of the Hamiltonian incorporating the core effects. From the Stark maps, the anti-crossings between energy levels are identified experimentally and theoretically. The time of flight spectra at the specified Stark states are recorded, where the deceleration and acceleration of barium atoms are observed. This is very consistent with the prediction derived from the Stark maps from the point of view of energy conservation.     

Statistics and Correlation Properties of Diamagnetic High Rydberg Hydrogen Atom

The spectra of Rydberg hydrogen atom in magnetic fields have been calculated using linear variational method with B-splines basis functions [Acta Phys. Sin. 55 （2006） 3380]. Based on these calculations we have done some statistics analysis about the high Rydberg energy levels. The nearest-neighbor energy spacing distribution and the 3-statistics have been shown about diamagnetic Rydberg hydrogen atom with the magnetic field being 0.6 T and 6 T. The phenomena of multiply crossing, multiply anti-crossing, and the mixed of crossing and anti-crossing of energy levels have appeared in this paper. For both cases, in range of lower energy, the energy 1evel statistics properties close to Poisson distribution. With the increasing of the energy, the energy level statistics properties are away to Poisson distribution and tend to Wigner distribution step by step.     

Absorption and Recurrence Spectra of Sodium Rydberg Atom in a Strong External Magnetic Field

Using core-scattered closed-orbit theory, we calculate the photoabsorption and the scaled recurrence spectra of sodium Rydberg atom in strong magnetic fied below ionization threshoM. The non-Coulombic nature of the ionic core have been modified by a model potential, which includes an attractive Coulomb potential and a short-ranged core potential. A family of core-scattered nonhydrogenic closed orbits have also been discovered. The Fourier transformed spectra of sodium atom have allowed direct comparison between peaks in such plot and the scaled action values of closed orbits. The new peaks in the recurrence spectra of sodium atom have been considered as effects caused by the core scattering of returning waves at the ionic core. The results are compared with those of hydrogen case, which show that the core-scattered effects play an important role in alkali-metal atoms.     

Pressure induced configuration demixing in the electronic spectrum of NO

Previous low resolution studies indicated that, in the absorption spectrum, transitions to Rydberg states are far more sensitive to pressure than transitions to valence states in accordance with the complete vanishing of Rydberg bands and the deperturbation of the valence bands in the spectrum of NO trapped in a solid rare gas matrix. The present study of NO is the first extensive investigation of medium and high resolution molecular electronic spectra subjected to pressure of foreign gases. It is observed that, at the highest pressure attained (～1000 bar), almost all of the Rydberg bands have vanished whereas the remaining valence bands stay relatively sharp. While high pressure medium resolution spectra give information about the deperturbation of intensities and of vibrational spacings of the valence bands, inspection of low pressure high resolution spectra reveals that the rotational lines react to pressure in a way reflecting closely the degree of configuration mixing between Rydberg and valence states.     

Field ionization process of Eu 4f~76snp Rydberg states

The field ionization process of the Eu 4f76 snp Rydberg states, converging to the first ionization limit, 4f76s9S4, is systematically investigated. The spectra of the Eu 4f76 snp Rydberg states are populated with three-step laser excitation, and detected by electric field ionization(EFI) method. Two different kinds of the EFI pulses are applied after laser excitation to observe the possible impacts on the EFI process. The exact EFI ionization thresholds for the 4f76 snp Rydberg states can be determined by observing the corresponding EFI spectra. In particular, some structures above the EFI threshold are found in the EFI spectra, which may be interpreted as the effect from black body radiation(BBR). Finally, the scaling law of the EFI threshold for the Eu 4f76 snp Rydberg states with the effective quantum number is built.     

Spectroscopic study of solid benzene and benzene isolated in rare-gas matrices

Absorption and luminescence excitation spectra of solid benzene and benzene isolated in rare-gas matrices have been studied. The absolute absorption cross sections of various electronic band systems including the Rydberg region of C₆H₆ are obtained using transmission spectra of C₆H₆-doped rare-gas films of different thickness. An interpretation of the structure in the Rydberg region is given in terms of two Rydberg series using the quantum defect method. A comparative study has been made of luminescence excitation spectra of matrix-isolated and of pure C₆H₆. The luminescence excitation spectra of matrix-isolated benzene gives information on the internal conversion and medium-induced vibrational relaxation.     

On the self-shift and broadening of doppler-free Rydberg 2S spectral lines in alkali atoms

The shift and broadening of Doppler-free, two-photon transitions to Rydberg states of alkali atoms are analyzed for the case of Rb in the framework of a molecular approach to collisions of ground state and Rydberg atoms. The overall features of the observed spectra are determined by the electrostatic interactions between the two atoms and are calculated using the impact theory of spectral line-shapes. The superimposed oscillations in the widths and shifts as functions of the Rydberg quantum number can be understood in terms of resonance electron-ground state atom scattering. The corresponding contributions to the spectra are determined by the energy and lifetime of a ³P autoionizing state of the negative alakali ion.     

Vacuum ultraviolet absorption spectra of dichlorosilane,dichloromethylsilane and dichlorodimethylsilane

The vapor phase vacuum ultraviolet absorption spectra of dichlorosilane, dichloromethylsilane and dichlorodimethylsilane are reported for the region from 40 000 to 83 000 cm^?1 (250-120 nm). Absorptions of these compounds are assigned as primarily Rydberg excitations of chlorine valence non-bonded electrons. The σ* ← np(SiCl) transition for these compounds is the first observed absorption and is badly overlapped with the first Rydberg absorptions. The first three ionization potentials of dichloromethylsilane were calculated to be 11.47, 11.82, and 12.28 eV using averaged term values and transition energies. The analysis of these spectra revealed that the first p and d molecular Rydberg states appear to be nearly degenerate and that these Rydberg levels are greatly destabilized with methyl substitution. The results of this study support the presence of strong d-p(SiCl) interactions. The strength of this effect is compared in dichlorosilane and dichlorodimethylsilane using an empirical relation.     

铯原子里德伯态精细结构测量

里德伯态光谱是测量里德伯态能级结构和中性原子间相互作用的常用技术手段,特别是高精度的里德伯光谱,可以测量室温原子气室中由偶极相互作用等导致的原子能级频移.在实验中利用反向的852 nm激光和509 nm激光实现了室温原子气室中铯原子6S_(1/2)—6P_(3/2)—57S(D)跃迁的级联双光子激发,实现了里德伯态原子的制备.基于阶梯型电磁诱导透明获得了铯原子里德伯态的高分辨光谱.实验中,基于速度选择的射频边带调制技术,对光谱信号进行了频率标定,测量了铯原子里德伯态57D_(3/2)和57D_(5/2)的精细分裂,分裂间隔为(354.7±2.5)MHz,与理论计算结果基本一致.速度选择的射频调制光谱可以实现里德伯态原子的能级分裂测量,其测量精度对于单光子跃迁的绝对激光频率不敏感;实验中影响57D_(3/2)和57D_(5/2)精细分裂间隔测量精度的主要因素是功率加宽导致的电磁感应透明信号的展宽和509 nm激光频率扫描的非线性.     

The perfluoro effect on the molecular Rydberg states of bromo- and iodoethylene

In comparing the vacuum ultraviolet spectra of bromo- and iodoethylene with the spectra of their perfluoro analogs, it is noted that many of the absorptions are shifted in energy. Fluorine substitution has been found to stabilize the σ systems and increase the term values of (π, ns) Rydberg transitions, but to have little effect on π ionization potentials or p Rydberg term values. However, in these compounds, there are two (π, np) Rydberg series assigned, and the term values of one series associated with in-plane p Rydberg orbitals, showed a marked increase with fluorination. Additional substituent effects on halogen-π system interaction parameters have also been observed and are discussed.     

Model Potential Calculations of Oscillator Strength Spectra of Rydberg Li Atoms in External Fields

By combining the B-spline basis set with model potential (B-spline + MP), we present oscillator strength spectra of Rydberg Li atoms in external fields. The photoabsorption spectra are analyzed. Over the narrow energy ranges considered in this paper, the structure of the spectra can be independent of the initial state chosen for a given atom. Our results are in good agreement with previous high-precision experimental data and theoretical calculations, where the R-matrix approach together with multichannel quantum defect theory (R-matrix+MQDT) was used. It is suggested that the present methods can be applied to deal with the oscillator strength spectra of Rydberg atoms in crossed electric and magnetic fields.     

Investigation of cold rubidium Rydberg atoms in a magneto-optical trap

This paper reports on the results of experiments with cold rubidium Rydberg atoms in a magneto-optical trap. The specific feature of the experiments is the excitation of Rydberg atoms in a small volume within a cloud of cold atoms and the sorting of measured signals and spectra according to the number of detected Rydberg atoms. The effective lifetime of the 37P Rydberg state and its polarizability in a weak electric field are measured. The results obtained are in good agreement with theoretical calculations. It is demonstrated that the localization of the excitation volume in the vicinity of the zero-magnetic-field point makes it possible to improve the spectral resolution and to obtain narrow microwave resonances in Rydberg atoms without switching off the quadrupole magnetic field of the trap. The dependence of the amplitude of dipole-dipole interaction resonances in Rydberg atoms on the number of atoms is measured. This dependence exhibits a linear behavior and agrees with the theory for a weak dipole-dipole interaction.