Accurate core binding energies of ions from Dirac-Fock calculations combined with experimental atomic binding energies

Core binding energies are reported for the singly-charged alkali ions obtained by removing the outer s electron and for the singly-charged halide ions obtained by adding a P_{$\text{3}\text{2}$} electron. The levels studied are Li 1s, Na 1s, K 2p, Rb 3p, Cs 3d, F 1s, Cl 2p, Br 3p and I 3d. The binding energies were obtained by combining DiracF?ock ΔSCF binding-energy shifts between the ions and the corresponding isoelectronic rare gases with experimental rare-gas binding energies, and also by combining the calculated atomīon shifts with experimental atomic binding energies where available. It is shown that the former approach corrects accurately for the correlation energy, which is not included in single-configuration calculations.     

Experimental transition probabilities of some Xe(I) lines

Using the light absorption technique in a ¹³²Xe afterglow plasma, we have measured the relative transition probabilities for several xenon lines which have the metastable 6s[$\text{3}\text{2}$]₂ or the resonant 6s[$\text{3}\text{2}$]₁ states as their lowest transition level. Because the transition probabilities of the 8819 Å (6p[$\text{5}\text{2}$]₃ ? 6s[$\text{3}\text{2}$]²) and 8280 Å (6p[$\text{1}\text{2}$]₀ ? 6s[$\text{3}\text{2}$]₁) lines are relatively well known, we have chosen these as reference lines and have thus been able to determine the absolute values of the transition probabilities for 19 xenon lines corresponding to transitions from 6p, 6p′, 7p, 8p, 9p, 4f and 5f to 6s[$\text{3}\text{2}$]₂, and for four lines corresponding to the transitions 6p?6s[$\text{3}\text{2}$]₁.     

Z-dependences of atomic characteristics of ions in Be- and O-isoelectronic sequences (2s−2p transition)

Transition energies and probabilities are presented for ions of the Be(Z = 4?100) and O(Z = 8?100) isoelectronic sequences. Dipole transitions are considered between all low-lying states constructed from 2s², 2s2p, and 2p² configuration in the case of Be-like ions, and between all low lying states from 2s²2p⁴, 2s2p⁵, and 2p⁶ configurations in the case of O-like ions. The calculations are based on the $\text{1}\text{Z}$ expansion technique and are carried out in the intermediate coupling scheme. Relativistic effects are incorporated using the Breit operator. For Z > 40, it is shown that jj-coupling is applicable. Results of the present calculations are compared with those of other authors over a broad range of nuclear charges.     

X-ray photoelectron spectra of iron complexes: Correlation of iron 2p satellite intensity with complex spin state

Metal and ligand core-level spectra have been obtained for 36 iron complexes which possess a variety of ligands including carbonyl, nitrosyl, triphenylphosphine,o-phenylenebis(dimethylarsine), halides and pseudohalides. Formal metal oxidation states range from ? 1 to + 3, and complex spin states represented in the series include 0, $\text{1}\text{2}$, $\text{3}\text{2}$, 2 and $\text{5}\text{2}$. A clear correlation between complex spin state and satellite intensity in the Fe 2p spectra is found. The satellite intensities observed experimentally are in approximate quantitative accord with those predicted by a “spin flipping” model. Although the present analysis does not provide a definitive choice between the “sudden approximation” and “spin flipping” models, the agreement between experimental satellite intensities and the intensities predicted by the “spin flipping” model suggests that such a mechanism can be important in the satellite process.     

Proton-neutron correlations in nuclei with N = 30

Structure of the nuclei with N = 30 and Z = 20–28 is investigated by the nuclear shell model within the proton-neutron configurations (1f_{$\text{7}\text{2}$})^z?20_p × (2p_{$\text{3}\text{2}$}, 2p_{$\text{case1}\text{2}$}, 1f_{$\text{case5}\text{2}$})²_n. Effective proton-neutron interactions determined by a least-squares fit to the observed spectra of N = 29 nuclei are adopted. Agreement of the calculated spectra with experimental spectra is satisfactory. Strong correlations between protons and neutrons break down the pairing scheme and lower the first J = 2 levels in doubly even nuclei, which is shown from the resultant wave functions. A relation between the shell model and collective rotational model is discussed concerning the calculated rotation-like spectrum of ⁵⁶Fe. Electromagnetic properties and spectroscopic factors of single-nucleon transfer reactions are calculated. They are in good agreement with experiments.     

Experimental results on J/ψ production by π±, K±, p and p incident on hydrogen at 39.5 GeV/c

J/ψ production at 40 GeV/c by π^±, K^±, p and $\text{p}$ incident on hydrogen has been studied and results compared with those obtained on tungsten in the same experiment. On hydrogen, J/ψ cross-section ratios relative to π^? have been measured to be (for $\text{x}{}_{\mathrm{<mtext>F</mtext>}}\text{> 0) σ(π}{}^{\mathrm{?}}\text{) : σ(π}{}^{\mathrm{+}}\text{) : σ(}\text{p}\text{) : σ(}\text{p}\text{) = 1 : (0.78 ± 0.09) : (0.83 ± 0.35) : (0.07 ± 0.04)}$. The suppression of the proton induced cross sections shows the importance of calence quark-antiquark fusiin J/ψ production at this energy (i.e. M_J²/_ψ/s=0.13).     

The D′ → A′ transition in Br2

A vibrational and rotational analysis is presented for the D′ → A′ transition (2800–2950 Å) of Br₂. The analysis includes 11 rotationally analyzed bands for ⁷⁹Br₂ and 3 for ⁸¹Br₂, plus bandheads for 70 additional v′-v″ bands of ⁷⁹Br₂, ⁸¹Br₂, and ⁷⁹Br⁸¹Br. The latter include some violet-degraded and spikelike features at the long-wavelength end of the spectrum, which are interpreted and assigned with the aid of band profile simulations. The assigned features are fitted directly to 14 vibrational and rotational expansion parameters for the two electronic states, from which the following spectroscopic constants are obtained: ΔT_e = 35706 cm^?1, ω′_e = 150.86 cm^?1, ω″_e = 165.2 cm^?1, B′_e = 0.042515 cm^?1, B″_e = 0.05944 cm^?1, $\text{R′}{}_{\mathrm{e}}\text{= 3.170}\text{A}\text{?}$, $\text{R″}{}_{\mathrm{e}}\text{= 2.681}\text{A}\text{?}$. The spectroscopic parameters are used to calculate RKR potentials and Franck-Condon factors for the transition.     

Microwave spectral study of 2-fluorophenol: cis conformer

The microwave spectra of 2-fluorophenol and its deuterated species have been observed and analyzed in the frequency ranges 12.5–18.0 GHz (KU band) and 21.5–26.0 GHz (K band) in the ground vibrational state at room temperature. For the normal species, the radio frequency-microwave double resonance spectrum has been recorded in the frequency range 30.0–38.0 GHz. Three rotational and five quartic centrifugal distortion constants for the normal species, $\text{A}\text{?}\text{= 3337.86 ± 0.02}$, $\text{B}\text{?}\text{= 2231.92 ± 0.01}$, $\text{C}\text{?}\text{= 1337.52 ± 0.01}$, d_J = (3.5 ± 2.9) × 10^?4, d_JK = (?4.9 ± 1.5) × 10^?3, d_K = (?3.2 ± 1.0) × 10^?3, d_WJ = (?2.0 ± 1.0) × 10^?7, d_WK = (2.6 ± 0.8) × 10^?6 (in MHz), and three rotational constants for the deuterated species, $\text{A}\text{?}\text{= 3324.70 ± 0.03}$, $\text{B}\text{?}\text{= 2177.95 ± 0.03}$, $\text{C}\text{?}\text{= 1315.96 ± 0.03}$ (in MHz), have been obtained. Consideration of the r_s coordinate of the hydroxyl hydrogen atom leads to the assignment of the spectra to the cis conformer of the molecule. An r₀ structure for the cis conformer has been proposed. The nonbonded OH ? F distance is lower by about 0.3 Å than the sum of the van der Waals radii.     

Exact Fermi energy,susceptibilities, and their singularities for an electron gas in a uniform magnetic field at T = 0 °K

Exact analysis is presented to derive the magnetic response functions and their singularities of free-electron gas in a uniform magnetic field of arbitrary strength at T = 0 °K. The newly defined functions, Λ_μ(s) = ∑₀^[s])(s ? n)^μ of $\text{μ =}\text{?1}\text{2}\text{,}\text{1}\text{2}\text{,}\text{3}\text{2}$, are employed to obtain the Fermi energy, magnetization, and susceptibility as functions of B. It is revealed that the spin susceptibility is composed of two parts, χ_s1 and χ_s2, where χ_s2 is purely oscillatory diamagnetic. A graphical method of finding the Fermi energy ?_F(B) as a function of B has been obtained. The system is shown to become totally one-dimensional electron gas in the field B greater than $\text{B}{}_{\mathrm{\downarrow }}\text{= (2ηn)}{}^{\mathrm{<mtext>2</mtext><mtext>3</mtext>}}$ and the total energy satisfies $\text{E}{}_{\mathrm{t}}\text{=}\text{1}\text{3}\text{?}{}_{\mathrm{F}}\text{(B)N}$. The obvious extension of the present theory to the Bloch electrons on the ellipsoidal constant energy surface is also discussed.     

Rotational analysis and radiative lifetime measurement on the 2B1 (K′ = 0) excited state of NO2 with v′2 = 6, 7, 8, and 9

The rotational structure of the ²B₁ (K′ = 0) subbands of NO₂ with v′₂ = 6, 7, 8, and 9 were analyzed by means of the time-gated excitation spectrum. The excitation spectrum monitored at ν₂, 2ν₂, or 3ν₂ fluorescence band was fairly simplified in comparison to its corresponding absorption spectrum. The band origins and rotational constants are evaluated from the observed data: ν₀ = 20205.0 cm^?1, $\text{B}\text{′ = 0.374}\text{cm}{}^{\mathrm{?1}}$ for v′₂ = 6; ν₀ = 21104.4 cm^?1, $\text{B}\text{′ = 0.374}\text{cm}{}^{\mathrm{?1}}$ for v′₂ = 7; ν₀ = 22001.9 cm^?1, $\text{B}\text{′ = 0.375}\text{cm}{}^{\mathrm{?1}}$ for v′₂ = 8ν₀ = 22898.0 cm^?1, $\text{B}\text{′ = 0.375}\text{cm}{}^{\mathrm{?1}}$ for v′₂ = 9. The value of $\text{B}\text{′}$ extrapolated to v′ = 0 is 0.370 cm^?1. This value corresponds to the bond length of 1.19 Å. Fluorescence decays of these excited levels were also studied. Radiative lifetimes obtained by extrapolation to zero pressure from the $\text{1}\text{τ}\text{– P}$ plots were 25–40 μsec. The short-lived excited levels previously reported by some authors were not found.     

Semi-inclusive scaling for largepT events

We consider semi-inclusive reactions of the type p + p → (particle with large p_T) + n charged particles + neutrals, and propose the following scaling law

$\text{E}\text{d}{}^3\text{σ}{}_{\mathrm{n}}\text{d}{}^3\text{p}\text{=}\text{1}\text{(}\text{s}\text{)}{}^{\mathrm{k+1}}\text{H}{}^{\mathrm{2p}}\text{T}\text{s}\text{,}\text{n}\text{s}$

for the distribution function of the large-p_T particle produced in association with n charged particles. This scaling rule is shown to be consistent with present information on single-particle spectra and average associated multiplicities at large p_T. Also, we show that if the associated multiplicity were to continue to increase linearly with p_T, then moments of the multiplicity distribution would increase like powers of s.     

The effect of the next nearest neighbor ion on the X-ray photoelectron spectra of 2p levels for Co2+, Ni2+ and Cu2+ in MgO

The X-ray photoelectron spectra of Co, Ni and Cu 2p levels for samples of M_xMg_1-xO (M = Co, Ni, Cu), CoO, NiO and CuO were compared. The binding energies of metal 2p_{$\text{3}\text{2}$} levels did not change with their concentration. The shake-up satellite main peak intensity ratios and FWHM of metal 2p levels for Co²⁺ and Cu²⁺ in MgO were smaller than those for CoO and CuO. The Ni 2p_{$\text{3}\text{2}$} spectrum for Ni²⁺ in MgO had no shoulder, unlike NiO. Results indicate that next nearest neighbor ions (metal ions) may influence the final states after photoelectron ejection.     

Determination of some atomic-state densities in an Xe-Br2 mixture

The atomic-state densities of the 6s[1 $\text{1}\text{2}$]⁰ metastable Xe energy level and of the 5s⁴P_{$\text{1}\text{2}$}, 5s⁴P_{$\text{3}\text{2}$} and 5s⁴P_{$\text{5}\text{2}$}Br energy levels in an Xe-Br₂ mixture have been determined as a function of current strength.     

Some effects of spin-orbit interaction on rotational levels and rotational line intensities in vibrationally unexcited 2A, 2E, and 2F electronic states of open-shell XY4 molecules

Rotational energy levels in vibronic ground states of ²A, ²E, and ²F electronic states of open-shell XY₄ molecules, as well as rotational line intensities for allowed transitions between such states, are discussed, including the effects of spin-orbit interaction and tetrahedral splittings. Jahn-Teller effects are assumed to be small, and are only taken into account implicitly, through their contributions to various parameters in the effective Hamiltonian. Qualitative information is obtained by considering several limiting-case coupling schemes among the electron spin angular momentum S, the electron orbital angular momentum L, and the pure rotational angular momentum R. These limiting cases are similar in spirit to Hund's coupling cases in diatomic molecules, but differ sufficiently from the latter to make detailed correspondences unhelpful. Quantitative information on rotational energy levels and line intensities is obtained numerically by diagonalizing a Hamiltonian matrix set up in a basis set characterized by uncoupled moleculefixed projections of S, L, and the total angular momentum J, and symmetrized so that all basis set functions belong to a definite species in the subgroup D_2d of the true point group T_d. Hamiltonian matrix elements are determined by ladder operator techniques. Three sample calculated spectra, corresponding to $\text{p(}{}^2\text{F}{}_2\text{)-s(}{}^2\text{A}{}_1\text{)}$, $\text{d(}{}^2\text{E)-p(}{}^2\text{F}{}_2\text{)}$, and $\text{d(}{}^2\text{F}{}_2\text{)-p(}{}^2\text{F}{}_2\text{)}$ are presented. As one might expect, when the spin-orbit constant A is set equal to zero, then both qualitative and quantitative aspects of the rotational-electronic problem in open-shell XY₄ molecules can be mapped easily onto discussions of the rotation-vibration problem from the CH₄ literature.     

Sodium resonances in fluorescence from wide-range laser scan in H2-O2-Ar flame

Several resonances and underlying continua were observed in the excitation profiles of sodium atoms in an H₂-O₂-Ar flame, irradiated by the focused beam of a tunable, pulsed dye layer. These profiles are obtained by tuning the laser through the spectral range of Rhodamine 6G and detecting the ensuing fluorescence signals from the 3D-3P and 4D-3P transitions. We observed resonances corresponding to the 3S_{$\text{1}\text{2}$}-3P_{$\text{1}\text{2}$}, 3S_{$\text{1}\text{2}$}-3P_{$\text{3}\text{2}$}, 3P_{$\text{1}\text{2}$}-5S_{$\text{1}\text{2}$}, 3P_{$\text{3}\text{2}$}-5S_{$\text{1}\text{2}$} one-photon transitions and resonances corresponding to the 3S_{$\text{1}\text{2}$}-5S_{$\text{1}\text{2}$}, 3S_{$\text{1}\text{2}$}-4D_{$\text{3}\text{2}$}, _{$\text{5}\text{2}$} two-photon transitions. The observed resonances result from different sequences of radiative and collisional excitation. The presence of the continua is explained by consecutive absorption of laser photons in the collisionally broadened wings of absorption lines. The spatial inhomogeneity of the laser beam and hence of the saturation causes submerging of some resonances into continua.     

A frequency-doubled frequency-stabilized cw ring dye laser for spectroscopy: A study of the λ = 293.3 nm transition in In1

In this letter a frequency-doubled frequency-stabilized CW ring dye laser for the wavelength region 292–305 nm is described. 500 μW U.V. power combined with a 2 MHz linewidth and a 7 GHz scanwidth has been obtained by intracavity frequency doubling in an ADA crystal. The set-up has been tested on the hyperfinestructure of the λ = 293.3 nm transition 5p²P_{$\text{3}\text{2}$} → 7s²S_{$\text{1}\text{2}$} in In1.     

Proton scattering from 9Be between 6 and 30 MeV and the structure of 9Be

Differential cross-section excitation functions at lab scattering angles 86.9°, 120.0°, 140.0° and 160.0° were measured for ⁹Be(p, p_o)⁹Be, ⁹Be(p, p₂)⁹Be and ⁹Be(p, d₀)⁸Be at proton lab energies from 6 to 15 MeV in 100 keV steps. A broad anomaly was observed in the ⁹Be(p, p₀)⁹Be excitation functions. Differential cross-section angular distributions were measured for ⁹Be(p, p₀)⁹Be and ⁹Be(p, p₂)⁹Be at lab energies of 13.0, 14.0, 15.0, 21.35 and 30.3 MeV and for ⁹Be(p, d₀)⁸Be at 13.0, 14.0, 15.0 and 21.35 MeV. Angular distributions of polarization analysing powers for ⁹Be($\text{p}$,p₀)⁹Be, ⁹Be(p, p₂)⁹Be and ⁹Be($\text{p}$, d₀)⁸Be were measured at 8.0, 11.0, 12.0, 13.0 and 15.0 MeV. A spherical optical-model (SOM) analysis of the elastic scattering angular distribution data from 13.0 to 30.3 MeV showed that an energy dependence of only V_R and W_s (volume real and surface imaginary depths) is sufficient to reproduce the measurements. Coupled-channels (CC) analyses were made with a quadrupole-deformed optical-model potential and strong coupling of $\text{3}\text{2}{}^{\mathrm{?}}$, $\text{5}\text{2}{}^{\mathrm{?}}$ and $\text{7}\text{2}{}^{\mathrm{?}}$ levels of a $\text{K =}\text{3}\text{2}$ ground-state rotational band of ⁹Be. The ⁹Be(p, p₀)⁹Be and ⁹Be(p, p₂)⁹Be data from 13.0 to 30.3 MeV were analyzed simultaneously at each energy, varying only V_R and W_s with energy, for a potential deformation of β = 1.1. Both SOM and CC analyses indicated the same energy dependence in V_R, while W_s averaged 3.5 MeV lower in CC than in SOM, with both energy dependences consistent with previous analyses of nucleon scattering from 1p shell nuclei.     

Peripheral pn production and decay angular distributions in the reaction π−p → (pn)p at 12 GeV/c incident momentum

The reaction $\text{π}{}^{\mathrm{?}}\text{p}\text{→ (}\text{p}\text{n}\text{)}\text{p}{}_{\mathrm{s}}$, where p_s is a slow proton, was measured at 12 GeV/c incident momentum with the CERN-OMEGA spectrometer. Both antiproton and proton were identified uniquely by electronics information. We obtained 1844 events with four-momentum Transfer squared in the range 0.13 ? |t| ? 0.33 GeV² and with invariant masses $\text{M(}\text{p}\text{n}\text{)}$ up to 2.5 GeV. The corresponding cross section in this t range is determined to be σ = 4 ± 0.4 μb. Extrapolating the differential cross section over the whole t range assuming dσ/dt ≈ exp(5.3t) we estimate a cross section of σ = 9.3 ± 2.0 μb. Comparison with data on $\text{π}{}^{\mathrm{?}}\text{p}\text{→ (}\text{p}\text{p}\text{)}\text{n}{}_{\mathrm{s}}$ (where n_s is a slow neutron) in the same t range shows that the $\text{(}\text{p}\text{n}\text{)}\text{p}{}_{\mathrm{s}}\text{and}\text{(}\text{p}\text{p}\text{)}\text{n}{}_{\mathrm{s}}$ cross sections have approximately the same magnitude.     

Experimental analysis of pp interactions between 0 and 1.2 GeV/c: Evidence for a pp → 5π effect near 1950 MeV/c2

An experimental analysis of $\text{p}\text{p}$ interactions between the $\text{p}$p threshold (√s = 1878 MeV) and √s = 2 100 MeV leads to clear evidence for an s-channel effect in the reaction $\text{p}\text{p}\text{→ π}{}^{\mathrm{+}}\text{π}{}^{\mathrm{?}}\text{π}{}^{\mathrm{+}}\text{π}{}^{\mathrm{?}}\text{π}{}^0\text{at}\text{1949 ± 10}\text{MeV}\text{/c}{}^2\text{(Γ ? 80}\text{MeV}\text{/c}{}^2\text{)}$. A comparison is made with the backward elastic scattering and charge-exchange behaviour. An interpretation in terms of an object strongly coupled to mesonic decay modes, with small or middle-sized elasticity (x ? 0.135_?0.06^+0.13) is given. No significant narrow structure is observed in the backward elastic scattering between 1.9 and 2 GeV. The experimental resolution of √s in this case is 2 MeV.