The pure rotational spectrum of Difluoroiodomethane, CHF2I

The pure rotational spectrum of CHF₂I has been recorded for the first time, in a supersonic expansion in the region 1.7-17 GHz, and at room-temperature in the region 302-318 GHz. The observed transitions span the values of J^″ from 0 up to 67. Precise rotational and centrifugal distortion constants have been determined. Furthermore, the complete iodine nuclear electric quadrupole coupling tensor, in the inertial and principal axes, has been determined. Quantum chemical calculations have been performed to aid with the analysis. Iodine quadrupole mediated perturbations have resulted in the following observations: (i) several transitions having enhanced intensities and (ii) the observation of several forbidden, ΔJ=±2, transitions. Comparisons in electronic structure are made between the series of molecules CH_3-nF_nX; and X = Cl, Br, I.     

Electron impact excitation rate coefficients for Ni-like gadolinium

A detailed and large-scaled calculation is performed on the total electron impact excitation rate coefficients from the ground state to the 106 fine-structure levels in 3l^-14l^′ of Ni-like Gd³⁶⁺ employing the relativistic configuration-interaction distorted-wave approximation. The resonance contributions from 3l¹⁷4l^′n^′′l^′′ and 3l¹⁷5l^′n^′′l^′′ doubly-excited states of Cu-like Gd³⁵⁺ are taken into account using the isolated process and isolated resonances approximation. The effects of the radiative decays from the resonances are investigated carefully and are found to be significant. The present rate coefficients, as well as the collision strength, are compared extensively with the previously published results. We believe our results should be more accurate and reliable.     

Electric dipole transitions for highly excited states in helium-like sulphur

We have calculated relativistic energies, weighted oscillator strengths and transition probabilities for electric dipole (E1) transitions among the terms belonging to 1snl (n?9, l?3) configurations in helium-like sulphur. The calculations are based upon the multiconfiguration Hartree-Fock method within the framework of Breit-Pauli relativistic corrections. Our calculated values are also compared with other experimental and theoretical results.     

The high-resolution infrared spectrum of BF3 from 400 to 1650 cm

High-resolution infrared spectra of boron trifluoride, enriched to 99.5 at. % ¹¹B, have been measured from 400 to 1650 cm⁻¹. In that region we have identified and analyzed 16 absorption bands attributed to the three fundamental bands, two combination bands, 10 hot bands, and one difference band. All possible states were accessed in this region through direct transitions either from the ground state or as hot bands from thermally populated levels. The spectral resolution of the measurements varied from 0.0015 to 0.0020 cm⁻¹. An improved set of ground state rotational constants and rovibrational constants for the infrared-active fundamental vibrations have been determined from over 32 000 assigned transitions. This study resulted in the first direct characterization of the infrared-inactive ν₁ state of ¹¹BF₃ leading to values for ν₁, , and of 885.843205(24), 0.000678548(53), and 0.000337564(66) cm⁻¹, respectively. The Fermi resonance perturbation between the E′ states ν₃ and 3ν₄ (l = ±1) was further elucidated by observation of hot band transitions to both the 3ν₄ (l = ±1) and 3ν₄ (l = ±3) states. Several other resonances were also found including the weak rotational interaction, between the state 2ν₂ and the E′ state of ν₁ + ν₄.     

Molecular-Gas-Pressure-Induced Line-Shift and Line-Broadening in the ν2-Band of H2S

The pressure-induced shift and broadening of H₂S absorption lines in the ν₂-band due to collisions between H₂S molecules and quadrupole molecules, such as O₂, H₂, D₂, N₂, and CO₂, were studied in the spectral region between 1050 and 1325 cm⁻¹. The measurements were carried out using a pulse-driven diode laser spectrometer with two multipass Herriott cells. The data concerning the collisional broadening and shift coefficients, γ and δ, respectively, and their dependencies on the rotational quantum number J″ and the quadrupole moment Q of the molecular perturber are presented for 14 P-branch transitions (3≤J″≤8,0≤K_a^Prime;≤3, 2≤K_c^Prime;≤8), 7 Q-branch transitions (7≤J^Prime;≤10, 1≤K_a^Prime;≤2, 6≤K_c^Prime;≤9), and 18 R-branch transitions (2≤J^Prime;≤11, 0≤K_a^Prime;≤4, 0≤K_c^Prime;≤11). The broadening coefficients γ were determined with an accuracy to within 2% and shift coefficients δ were determined with an uncertainty of less than 10⁻³ cm⁻¹/atm for the majority of lines and broadening gases.     

Ab initio calculation of electronic transition moments for singlet excited states of the H2 molecule

Ab initio CI electronic dipole transition moments have been calculated for the transitions between singlet states of the hydrogen molecule correlating asymptotically with H(nl)+H(1s) (n=1,2,3). The investigated singlet-singlet transitions include the 30 (n=3) inter-Rydberg transitions and the 32 transitions which may contribute to absorption in the far wings of the Balmer α line of atomic hydrogen perturbed by another hydrogen atom in its ground state. Results are presented for internuclear distances 1.0a₀?R?12a₀. The present results compare well with the previous theoretical calculations available for about half of the transitions treated in the present work. Thirty eight new transitions are presented. Adiabatic potential energies for the and and improved energies for the and states are reported as well.     

“Electron collisional excitation of argon-like Ni XI using the Breit-Pauli R-matrix method”

In a recent paper, Verma et al. [Eur. Phys. J. D 42, 235 (2007)] have reported results for energy levels, radiative rates, collision strengths, and effective collision strengths for transitions among the lowest 17 levels of the (1s²2s²2p⁶)3s²3p⁶, 3s²3p⁵3d and 3s3p⁶3d configurations of Ni xi. They adopted the civ3 and R-matrix codes for the generation of wavefunctions and the scattering process, respectively. In this paper, through two independent calculations performed with the fully relativistic darc (along with grasp) and fac codes, we demonstrate that their results are unreliable. New data are presented and their accuracy is assessed.     

Resonance excitation process for Ni-like gold

A detailed and large-scale calculation on the resonant excitation rate coefficients from the ground state to the 106 fine-structure levels belonging to 3l¹⁷4l^′(l=0,1,2;l^′=0,1,2,3) configurations of Ni-like gold have been performed using the relativistic distorted-wave approximation. The contributions through all possible Cu-like doubly excited states 3l¹⁷4l^′n^″l^″and 3l¹⁷5l^′n^″l^″(n^″≤15,l^″≤8) are calculated explicitly. The radiative damping effects on resonant excitation rates are studied. Significant effects arising from decays to autoionizing levels are also investigated. The n⁻³scaling law is investigated and is used to obtain the contributions from high-n configurations. Contributions from resonant excitation are found to be as important as direct excitation processes for most transitions. In some cases, resonant excitation can enhance the excitation rate coefficients by an order of magnitude. In addition, the total dielectronic recombination rate coefficients of Ni-like gold are also presented and compared with other works.     

Characteristics of the decay of quartet states in the isoelectronic sequence Li-Ne+7

The oscillator strengths, probabilities, and intensities of radiative transitions and radiative lifetimes are calculated within the framework of the quartet term structure 1s2snl ⁴L, 1s2snl'⁴ (l = 0, 1, 2, 3;l' = 0, 1, 2;n5)Lin the isoelectronic sequence Li-Ne⁺⁷. The probabilities for Coulomb autoionization into the quartet continuum are calculated. The general regularities in the quartet spectra in the isoelectronic series and the z-dependence of some optical characteristics are studied. The predominant decay channels of quartet terms are investigated.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 10–14, October, 1988.     

Electron collisional excitation of argon-like Ni XI using the Breit-Pauli R-matrix method

Electron excitation collision strengths for the transitions from the ground state to the fine-structure levels of the 3s²3p⁵3d and 3s²3p⁶3d configurations in Ni XI are calculated using the Breit-Pauli R-matrix method. Configuration interaction wavefunctions have been used to represent the target states. The relativistic effects are incorporated in the Breit-Pauli approximation by including one-body mass correction, Darwin, and spin-orbit interaction terms in the scattering equations. Collision strengths are tabulated at selected energies in the range 10 to 75 Rydberg. Effective collision strengths are determined by integrating collision strengths by assuming a Maxwellian distribution of electron energies. The effective collision strengths are listed over a wide temperature range (2×10⁴-1×10⁷ K) applicable to astrophysical plasmas. Our results are the only collision strengths and effective collision strengths available for this ion. We believe that the data calculated in this work will be useful in solar, astrophysical and laser applications.     

Resonance-enhanced multiphoton ionization spectroscopy of CH3 and CD3. Two-photon absorption selection rules and rotational line strengths of the ν3- and ν4-active vibronic transitions

To explore the possibility of K-level resolved, 2+1 resonance-enhanced multiphoton ionization (REMPI) processes of the methyl radical, the two-photon absorption selection rules and rotational line strengths of the 3₀¹ and 4₀¹ vibronic bands of the transition (n=3 or 4) were reported. Stringent selection rules, which were imposed upon these two-photon transitions, are the initial K″=3p (p=0,1,2,…), ΔK=±2, ΔU=±3, and ΔN=0,±1,±2 (O, P, Q, R, and S branches). The previously assigned 2₂² vibronic band of the methyl radical should be studied by the REMPI with a better spectral resolution and analyzed by the newly derived two-photon absorption selection rules and rotational line strength formulas.     

Über das Verhältnis der Wirkungsquerschnitte für den (e,n)- und (γ,n)-Prozeß

The ratio of the cross sections for the (e, n)-and (γ, n)-process is derived with the use of the relativistic Coulomb Eigenfunctions for the continuous spectrum, used bySommerfeld-Maue andBethe-Maximon. Only the electric and magnetic dipole transition are considered. For this transitions the Coulomb correction to the Born approximation is calculated. The result of an estimation of the electric quadrupole transition is given. The effect of screening and that of finite nuclear size is estimated. With the ratio thus obtained one is able to calculate the cross sections for the (e, n)- and (γ, n)-process using the experimental values of only one of this quantities.     

Pseudopotentials, correlations, and hierarchy states in quantum hall systems: When the composite Fermion picture works and why

A system of Fermions in a shell of angular momentum l can form a set of multiplets of total angular momentum L. The composite Fermion (CF) picture picks out the lowest lying energy multiplets by selecting from this set a subset that is “Laughlin correlated”, i.e. which maximally avoids pair orbits with the largest pair angular momentum L^′ (or smallest relative angular momentum R=2l−L^′). We demonstrate that Laughlin correlations occur only when the pseudopotential V(L^′) (the interaction energy of a pair as a function of L^′) increases with L^′ more rapidly, than the eigenvalue of L^′2 at the value of L^′ (or R) avoided in the Laughlin correlated state. This requirement is not satisfied for QEs and QHs of the Laughlin ν=1/3 and ν=1/5 states at R=1 and R=3 respectively. At and , clustering of QPs gives lower energy than Laughlin correlations. Novel spin polarized incompressible states at ν=4/11 and ν=4/13 cannot be explained as a second generation in the CF hierarchy.     

High-resolution diode laser absorption spectroscopy of the O-H stretch overtone band (2,0,0)←(0,0,0) of the HO2 radical

The O-H stretching overtone (2ν₁) of the HO₂ radical was observed between 6603.2 to by using tunable diode laser absorption spectroscopy (TDLAS). About 1000 lines were observed in this region of which 491 transitions could be definitively assigned to the 2ν₁. The spectrum is observed to be an A/B hybrid band with band features of both a perpendicular and parallel nature. Transitions of the A-type bands with K_a^′=0-3, N^′?16 and transitions of the B-type bands with K_a^′=0,1, N^′?15 were assigned. The origin calculated from the best fit to the present spectrum is at which is ∼ higher than previously reported. The overtone spectrum is observed to be heavily perturbed, possibly by Fermi resonance with energy levels of the nearby (ν₂+5ν₃) state.     

Note on electron impact excitation for transition of Be-like isoelectronic sequence

Relativistic distorted-wave method was used to calculate the electron impact excitation collision strengths for transitions 2 s2 ¹ S0-2 s 2 p ³ P1 of Be-like isoelectronic ions. The target states were described, respectively, by 10-level, 46-level and 133-level MCDF configuration-expansion. The relativistic continuum orbitals were calculated in the potential field of frozen target-ion charge distribution with semi-classical exchange potential. The influence of the target states on this collision process along the isoelectronic sequence was investigated in the above three MCDF configuration-expansion modes. It was found that the configurations in the n =3 and the n =4 complexes have great influence on both the high and the low Z ions but the influence is relatively small for intermediate Z ions. The latter phenomenon was attributed to competition between opposing correlation and relativistic effects on the collision strengths. Received: 25 February 1998 / Received in final form: 18 June 1998     

ψ″ Decays to charmless final states

The importance of measuring the decays of the ψ″ = ψ (3770) resonance is discussed. These decays can shed light on a possible discrepancy between the total and cross-sections at the ψ″, and on a proposed mechanism for enhancement of penguin amplitudes in B meson decays through charm-anticharm annihilation. Measurements (including the ψ″ line shape) in states of definite G-parity and in inclusive charmless final states such as η′ + X are found to be particularly important.     

Total dielectronic recombination rate coefficient for Co-like tungsten

Ab initio calculation of the total dielectronic recombination (DR) rate coefficient from the ground state 3s²3p⁶3d⁹(J=5/2) of Co-like tungsten is performed employing the relativistic distorted-wave approximation with configuration-interaction. The DR contributions mainly come from complex series 3d⁸4ln′l′. The complex series 3p⁵3d¹⁰n′l′, 3p⁵3d⁹4ln′l′ and 3d⁸5ln′l′ also contribute significantly to the total DR rates at relatively high electron temperatures. The l′ and n′ dependences of the partial rate coefficient are investigated. The inclusion of decays into autoionizing levels followed by radiative cascades (DAC) enlarges the total DR rate coefficients by a factor of about 10%. The level-by-level extrapolation method is developed to include DAC effects. The total DR rate coefficients are fitted to an empirical formula. It is shown that at temperatures above 2.5 keV the Burgess-Merts (BM) semiempirical formula can provide DR results with an accuracy of about 15%, whereas at electron temperatures below 100 eV it underestimates the DR rate coefficients by up to a few orders of magnitude and its temperature dependence is completely inadequate. The comparison of the results for Ni-like and Co-like tungsten shows that these two sets of DR rate coefficients are very close in magnitude at relatively high electron temperatures.