Ab initio calculation of transition dipole moments for transitions between valence states in oxygen molecules

Results of ab initio calculations of potential-energy curves for 20 singlet and 20 triplet valence states of oxygen with configuration interaction taken into account in the 6-31G basis are presented. Transition dipole moments of triplet-triplet (1³Π_g ← B ³Σ _u ^? , 1³Π_g ← A ³Σ _u ⁺ , 1³Π_g ← A′ ³Δ_u, B ³Σ _u ^? ← X ³Σ _g ^? , 2³Π_u ← 1³Π _g, 2³Σ _g ^? ← B ³Σ _u ^? , 1³Π_u ← X ³Σ _g ^? , 2³Π_u ← X ³Σ _g ^? , 2³Π _g ← A′³Δ_u, 3³Π_g ← A′ ³Δ _u, 2³Δ_u ← 2³Π_g, 3³Π_g ← B ³Σ _u ^? , and 2³Π_g ← A ³Σ _u ⁺ ) and singlet-singlet (2¹Σ _g ⁺ ← 2¹Π_u, 2¹Π_u ← 1¹Π ^g, ¹Π_u ← 2¹Δ_g, 1¹Π_g ← c ¹Σ _u ^? , ¹Π_u ← b ¹Σ _g ⁺ , 1¹Δ _u ← a ¹Δ_g, 2¹Π_u ← a ¹Δ_g, 2¹Δ_g ← 1¹Δ_u, ¹Π _u ← a ¹Δ _g, 1¹Π_u ← b ¹Σ _g ⁺ , 2¹Π_g ← 1¹Π_u, 2¹Π _g ← c ¹Σ _u ^? , 1¹Δ _u ← 1¹Π _g, f′Σ _u ⁺ ← b ¹Σ _g ⁺ , 2¹Σ _g ⁺ ← f ′¹Σ _u ⁺ , 3¹Π_g ← 1¹Δ_u) radiative transitions are calculated as functions of internuclear separation. The possibility of observing these transitions under experimental conditions is discussed.     

Calculation of molecular constants for the X 1Σ g + , A 1Σ u + , B 1Πu, and a 3Σ u + electronic states of 39K2

The molecular constants are calculated for the X ¹Σ _g ⁺ , A ¹Σ _u ⁺ , B ¹Π_u, and a ³Σ _u ⁺ and electronic states of a potassium dimer. The wave functions and vibrational energies necessary for calculating the molecular constants are determined by solving the radial wave equation with the use of potential energy curves constructed by the semiempirical method. The vibrational terms, the rotational constants, and the centrifugal distortion constants calculated from the potential curves are compared with those determined from the experimental data.     

Interaction of Zn atoms in the 1 S and 3 P states with N2 molecules in the X 1Σ g + and A 3Σ u + states at moderate distances between the atom and molecule

An asymptotic method was used to derive analytical expressions for the matrix elements of interaction between the N₂ molecule in the X ¹Σ _g ⁺ and A ³Σ _u ⁺ electronic states and the Zn atom in the ¹ S and ³ P states. Quadrupole-quadrupole, dispersion, and exchange interactions were taken into consideration. The character of the set of diabatic vibronic potential energy surfaces of the system suggests that the energy transfer in the process N₂(A ³Σ _u ⁺ ) + Zn(¹ S) → N₂(X ¹Σ _g ⁺ ) + Zn(³ P) may prove to be rather effective.     

Electron-vibrational energy exchange in collisions of electronically excited N2(A 3Σ u + ) molecules with Zn(X 1 S) atoms

The interaction matrix between the N₂ molecule in the X ¹Σ _g ⁺ and A ³Σ _u ⁺ states and the Zn atom in the ¹ S and ³ P states calculated earlier by the asymptotic method was used to find the rate constants for the electron-vibrational energy exchange N₂(A ³Σ _u ⁺ , v) + Zn(¹ S) → N₂(X ¹Σ ₈ ⁺ , v′) + Zn(³ P). The calculations were performed by the transition state method, and the probabilities of transitions between intersecting electron-vibrational terms of the system in motion along the reaction coordinate were determined by the Landau-Zener equation. The calculated electron excitation transfer constants between N₂(A ³Σ _u ⁺ , v = 1, 0) and Zn(¹ S) over the temperature range 300–900 K were on the order of 10^?11?10^?12 cm³/s.     

On the non-BoltzmannA-X emission in Na2 following laser excitation of theB state

A ¹Σ _u ⁺ -X ¹Σ _g ⁺ emission in Na₂ is observed following excitation ofB ¹π _u by various lines of an argon ion laser. The excitation energy ofB ¹π _u is collisionally transferred to the (2)¹Σ _g ⁺ which then radiatively populates theA ¹Σ _u ⁺ state. The Na vapour is contained in a stainless steel crossed heat pipe with Ar buffer gas and temperature around 600°C. For all laser lines except 4579 Å, the coarse features ofA-X emission are independent of the laser wavelength. However, at high resolution the finer differences between different laser line excitation are explained. Variousv′-v″ transitions in this emission are identified. Computer simulation is presented to help explain some features of this emission.     

Investigation of N 2 + (C 2Σ u + → X 2Σ g + fluorescence excited through auger decay of the 1s −1π* resonance

A theoretical investigation of N ₂ ⁺ (C ²Σ _u ⁺ → X ²Σ _g ⁺ molecular fluorescence excited through the Auger decay of the 1s ^?1π* resonance is carried out. The fluorescence cross sections are calculated with due regard for the dependence of the matrix element of the C → X dipole transition on the internuclear distance, the interference between channels of excitation via different vibrational levels v _r of the 1s ^?1π* resonance, the rotational structure of the fluorescence band, and the predissociation of the N ₂ ⁺ C ²Σ _u ⁺ v′ ≥3) states. The calculated cross sections are in good agreement with the experimental results of recent measurements. The results of the calculations have demonstrated that the observed dependence of the cross section of the (C ²Σ _u ⁺ (v′) → X ²Σ _g ⁺ (v″) fluorescence on the excitation energy and the fluorescence wavelength for a group of bands with equal values of the difference Δv = v′ ? v″ is associated with transitions between the vibrational levels of the electronic states involved in the excitation and subsequent cascade decay of the 1s ^?1π* resonance: N₂ (v ₀ = 0) → N*₂(1s ^?1π*(v _r)) ? N ₂ ⁺ : (C ²Σ _u ⁺ (v′) → X ²Σ _g ⁺ (v″).     

Gyromagnetic ratios of excited states in186W

The gyromagnetic ratios of the 4 ₁ ⁺ , 6 ₁ ⁺ , and 2 ₂ ⁺ states in¹⁸⁶W were measured relative to that of the 2 ₁ ⁺ level by means of the transient field implantation perturbedγ-ray angular distribution technique. The nuclei in the states of interest were Coulomb excited using a beam of 220-MeV⁶³Cu projectiles and recoiled swiftly through a thin, polarized Fe foil. The present measurements yielded ratiosg(4 ₁ ⁺ )/g(2 ₁ ⁺ )=1.04±0.07,g(6 ₁ ⁺ )/g(2 ₁ ⁺ )=1.03 ±0.20 andg(2 ₂ ⁺ )/g(2 ₁ ⁺ )=0.63±0.13. The sizable disparity between the measuredg-factors of the ground- and excited-band is examined within the context of the interacting boson approximation model.     

Study of the lowest electronic states of Xe2, XeKr, and XeAr molecules by the method of multiphoton resonance ionization

The spectra of Xe₂, XeKr, and XeAr molecules in the range 66 500–68 800 cm^?1 are obtained by the methods of (2 + n) and (3 + n) (n = 1, 2, 3) resonance multiphoton ionization during the registration of molecular and atomic ions. The combining of two-and three-photon resonance excitations of Xe₂ molecules makes it possible to obtain the spectra caused by transitions from the ground state X0 _g ⁺ to the excited states of Xe*6s[3/2] _1,2 ^o Xe¹ S ₀ molecules both of the even (0 _g ⁺ , 1 _g ) and of the odd (B0 _u ⁺ , B′1 _u , 2 _u ) symmetries. The data on the Ω = 2 _u state of the Xe₂ molecule with the dissociation limit Xe*6s[3/2] ₂ ^o + Xe¹ S ₀ and on the Ω = 1 state of the XeAr molecule with the dissociation limit Xe*6s[3/2] ₁ ^o + Ar¹ S ₀ are obtained for the first time. The potential curve of the excited 2 _u state of the Xe*6s[3/2] ₂ ^o Xe¹ S ₀ molecule is repulsive and intersects the potential curve of the B0 _u ⁺ state of the Xe*6s[3/2] ₁ ^o Xe¹ S ₀ molecule. In the case of the three-photon excitation, it is observed that all the bands in the spectra of XeKr and XeAr molecules are broadened and are shifted, which indicates that, in an intense light field, the influence of the dynamic Stark effect is significant.     

Dipole moment functions for electronic transitions from ion-pair states of the second tier of molecular iodine

The emission spectra caused by the transitions from the ion-pair states and f0 _g ⁺ and G1_g of the I₂ molecule are obtained by excitation of individual rovibronic levels of the molecule by the method of optical-optical double resonance. The emission spectra from the state F0 _u ⁺ populated due to collisions I₂(f) + I₂(X) are also measured. By modeling the experimental emission spectra, the dipole moment functions for the electronic transitions f _g ⁺ -B0 _u ⁺ , A0 _u ⁺ , and B″0 _u ⁺ ; G1_g-A0 _u ⁺ and B″0 _u ⁺ ; and F0 _u ⁺ -X0 _g ⁺ and a′0 _g ⁺ of the iodine molecule are reconstructed.     

Observation of perturbations in the rovibronic transition probabilities for the (4d)r 3Π g − , (4d) s 3 Δ g − → (2p) c 3Π u ± band systems of the H2 molecule

The ratios of the radiative transition probabilities for the lines of the P, Q, and R branches of the (4d)r ³Π _g ^? , (4d)s ³Δ _g ^? → (2p) c ³Π _u ^± band systems of the H₂ molecule have been measured for the first time. Significant (to two orders of magnitudes) differences are found between the experimental values and the adiabatic theory predictions. It is established that the results of the nonadiabatic calculation performed by us in the pure-precession approximation taking into account the electronic-rotational interaction of the 4d ³Π_g and 4d ³Δ_g states are in agreement with the experimental data. The optimal energies of rovibronic levels of the r ³Π _g ^? , s ³Δ _g ^? , c ³Π _u ^? , and c ³Π _u ⁺ states have been found and reidentification of 11 from 54 spectral lines, assigned previously to the (0-0) and (1-1) bands, was performed.     

The effect of air impurities on pure neon luminescence

The luminescence decay curves of the 2p ₁ level of the NeI atom (the transition 3p??[1/2]₀?3s??[1/2] ₁ ^° , ?? = 585.2 nm) and the B ²?? _u ⁺ level of the N ₂ ⁺ molecule (the transition B ²?? _u ⁺ (?? = 0)?X ²?? _g ⁺ (??? = 0), ?? = 391.4 nm) in pure and air-containing neon are measured. The gas was excited by electron beam pulses (E _e = 150 keV, ?? = 5 ns, I _max = 500 A). It is shown that the molecular gases contained in air strongly quench the long-lived component of neon luminescence exciting due to dissociative recombination of Ne ₂ ⁺ molecular ions. The relative light yield at a wavelength of 585.2 nm as a function of the partial pressure of air in neon is determined to be ?? = (1+ 2??p)^?1, where p is the air pressure in Torr.     

Absorption spectrum of C2 molecules near 1.06 μm

An intracavity laser spectrometer has been used to study the laser-spark absorption spectrum of C₂ radicals near 1.06 μm. The spectra recorded have been assigned, and the rotational lines of the transitions 3-0, 4-1, and 5-2 b ³Σ _g ^? -a ³Π _u and 2-1 and 1-0 A ¹Π _u -X ¹Σ _g ⁺ have been identified. The vibrational and rotational temperatures have been determined.     

Gyromagnetic ratios of 4+ and 6+ states in156Gd and158Gd

The followingg-factors have been derived from time integral measurements of γ-γ angular correlations in the static magnetic hyperfine field of magnetized gadolinium metal probes:¹⁵⁶Gd:g(4 ₁ ⁺ )=+0.310(19)g(6 ₁ ⁺ )=+0.25(21)g(4 ₃ ⁺ , 1511 keV)=+0.809(27)¹⁵⁸Gd:g(4 ₁ ⁺ )=+0.409(15). The 5.35d ¹⁵⁶Tb sources were produced by the reaction¹⁵⁶Gd(d, 2n)¹⁵⁶Tb in our cyclotron. A carrier-free 150y ¹⁵⁸Tb source was obtained from ISOLDE/CERN. In comparison with the precisely knowng-factors of the 2 ₁ ⁺ states,g(2 ₁ ^su+ ,¹⁵⁶Gd) =+0.386(4) andg(2 ₁ ⁺ ,¹⁵⁸Gd)=0.381(4), we observe a large reduction for the¹⁵⁶Gd 4 ₁ ⁺ state whereasg increases slightly for¹⁵⁸Gd. The half-life of the 4 ₁ ⁺ state of¹⁵⁸Gd was remeasured as¹⁵⁸Gd:T _1/2(4 ₁ ⁺ )=148(2) ps. A measurement of the rotation in the 4 ₃ ⁺ state of¹⁵⁶Gd in external magnetic fields of various strengths up toB _ext=9.5 T did not confirm the anomalous dependence of the magnetic hyperfine field in gadolinium metal on the external field, which has been reported by Persson et al. [29].     

Two-particle production inK + p interactions at 32 GeV/c

Results are presented on two-particle inclusive production inK ⁺ p interactions at 32 GeV/c. We study thex _1,2=x ₁+x ₂ dependence of invariant structure functions of (ππ)-pairs and compare them to single particle inclusive distributions in the fragmentation regions. Distributions of particles observed at Feynmanx ₂ in association with various “trigger” particles or systems atx ₁ in the same hemisphere are dicussed in terms of the reduced variable \(\tilde x_2 = x_2 /(1 - |x_1 |)\) . We further present absolute production rates and production ratios of π⁺'s and π^?'s associated with π^±,K _s ⁰ , Λ, \(\bar \Lambda \) ,K ^*+ (890), (K _s ⁰ π⁺), and (π⁺ π^?)-triggers, and compare them with qualitative predictions of the quark recombination model. Forwardbackward correlations between (K _s ⁰ π^±), (K _s ⁰ ,p), (Λ, π^?), \((\bar \Lambda \pi ^ \pm )\) , and (p, π^?) pairs are also discussed.     

Emission properties of an atmospheric-pressure helium plasma jet generated by a barrier discharge

The emission properties of an atmospheric-pressure helium plasma jet generated by a barrier discharge in a capillary blown with helium are studied. The spectral composition of the radiation of the studied plasma jet and the spatial-spectral distribution of its intensity are investigated in detail. It is shown that the emission spectrum of the generated plasma jet outside the capillary consists mainly of electronic-vibrational transitions of the first negative system of ionized nitrogen molecules N ₂ ⁺ (B ²Σ _u ⁺ → X ²Σ _g ⁺ ) and the second positive system of neutral nitrogen molecules N₂(C ³Π _u → B ³Π _g ).     

An ESR study of NH 3 + , al center and HO2 · radical in alkali feldspars

Paramagnetic centers of NH ₃ ⁺ , Al, and HO₂ · have been observed in alkali feldspars from Aichi prefecture, Japan. The quartet signal has been tentatively ascribed to NH ₃ ⁺ rather than to ·CH₃, although the hyperfine splitting by¹⁴N (I=1) was not observed. The averageg- andA-valuesg _av=2.0033 andA _av ^H =2.45 mT, respectively, were attributed to hydrogen. The powder spectra of Al centers stable up to 400 K were simulated by the anisotropicg factors ofg _zz =2.060,g _xx =2.0014,g _yy=2.0021 andA=0.9 mT. Newly discovered HO₂ · is stable up to 570 K. The intensities of the spectra from NH ₃ ⁺ and Al centers were enhanced by gamma-ray irradiation, while that of HO₂ · was not enhanced. Production efficiency,G-value (radical/100 eV) of NH ₃ ⁺ has been obtained to beG=0.01. These results suggest that ESR dating of feldspars is possible.     

Leading/nonleading charm-production asymmetry in Σ− p interactions

The asymmetry between the spectra of leading and nonleading charmed mesons that was measured in Σ^? A interactions at p _L=340 GeV/c in the WA89 experiment is described within the Model of Quark-Gluon Strings (QGS model also known as QGSM) under the assumption that there is a fraction of charmed sea quark-antiquark pairs (intrinsic charm) in an interacting hyperon. It is shown that the asymmetries between D ^?-and D ⁺-meson spectra and between D _s ^? -and D _s ⁺ -meson spectra can be approximated by QGSM curves obtained with the same string-fragmentation parameter, a ₁=10, and the same intrinsic-charm fraction, $\delta _{c,\bar c} = 0.01$ , as those that were used in describing D _s ^? /D _s ⁺ -meson asymmetry of π^? A experiments in previous studies. The asymmetry between the spectra of Λ_c and $\bar \Lambda _c $ that was measured in Σ^? A collisions at p _L=600 GeV/c in the E781 experiment is also described within this scheme. The QGSM results are compared with the results of the calculations in the next-to-leading approximation of perturbative QCD that were performed by other authors.     

Ab initio nonadiabatic calculation of the sensitivity coefficients for the X 1Σ g + → B 1Σ u + ; C 1Πu lines of H2 to the proton-to-electron mass ratio

Ab initio nonadiabatic calculations of the wavelengths λ_ij of the individual lines of the Lyman X ¹Σ _g ⁺ → B ¹Σ _u ⁺ and Werner X ¹Σ _g ⁺ → C ¹Π_u series of molecular hydrogen and corresponding sensitivity coefficients K _ij = dlnλ_ij/dlnγ have been performed. These quantities are necessary for testing a possible change in the proton-to-electron mass ratio γ = m _p/m _e in the process of cosmological evolution. The basic contribution to K _ij comes from the difference between the average kinetic energies of vibrations of combined states. Nonadiabatic interactions are important for a small number of locally-perturbed rovibrational levels of the B ¹Σ _u ⁺ and C ¹Π _u ⁺ states, for which change in K _ij that is caused by nonadiabatic effects reaches 14%, which can lead to a significant systematic shift in the estimate of the parameter γ.     

g-factor of the second 4+ state in24Mg

The transient field technique has been used to determine theg-factor of the 4 ₂ ⁺ state at 6.010MeV excitation in²⁴Mg. The deduced value ofg=+0.5(4) is consistent with collective model expectations. Further, the equality within experimental accuracies, of the g-factors of the 2 ₁ ⁺ , 2 ₂ ⁺ , 4 ₁ ⁺ and 4 ₂ ⁺ states agrees with theoretical predictions for thisT=0 self-conjugate nucleus, in contrast to the results for²⁰Ne.