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Quantum mechanical study of transition probabilities, Einstein A coefficients, and oscillator strengths of band systems of diatomic molecules
Thermally insensitive determinations of transition probabilities for CI, OI, NeI, AlII, SiI, SiII, Pi, PII, SI, SII, and ClI
Hydrogen and deuterium oscillator strengths and transition probabilities for Lyman and Werner system individual bands by electronic dipole moment functions
We have undertaken new critical assessments and tabulations of the transition probabilities of important lines of these spectra. For Fe I and Fe II, we have carried out a complete re-assessment and update, and we have relied almost exclusively on the literature of the last 15 years. Our updates for C I, C II and N I, N II primarily address the persistent lower transitions as well as a greatly expanded number of forbidden lines (M1, M2, and E2). For these transitions, sophisticated multiconfiguration Hartree-Fock (MCHF) calculations have been recently carried out, which have yielded data considerably improved and often appreciably different from our 1996 NIST compilation.
Calculation of lifetime and transition probability of p-excited states of neon, argon, and krypton
Strong coupled rotational excitation problem in atom-diatomic molecule scattering system, discussing transition probability matrices statistical analysis
Semiclassical collisions of an atom with a rigid-rotor molecule are examined in the sudden approximation. The rotational transition probability is shown to be invariant with respect to the choice of orientation for the molecular coordinate system; this fact contradicts recently reported results of a computer analysis. The present analysis may lead to an improved interpretation of recent molecular beam measurements.
Ionized Ne, Ar and Kr first excited p states lifetime and transition probabilities, tabulating energy levels and mixing coefficients
Molecular hydrogen Lyman bands radiative transition probabilities, using electronic dipole moment functions
Experimental results for relative vibrational band transition probabilities for v prime = 0 and 1, and v double prime = 0 to 4 in the A-X electronic system of OH are presented. The measurements, part of a larger set involving v prime = 0 to 4 and v double prime = 0 to 6, were made using spectrally dispersed laser-induced fluorescence (LIF) in the burnt gases of a flame. These Einstein coefficients will be useful in dynamics experiments for quantitative LIF determinations of OH radical concentrations in high v double prime.
Time-resolved observations of the spin-changing, or 'intersystem' emission at 2669.157 A obtained by the ion storage technique are used to measure the transition probability of the 3s2 1S0 - 3s3p 3P1 exp 0 line in Al II. A laser-generated plasma was used as the source of the metastable Al(+) ions. The A-value result obtained for the intersystem transition is 3.33 + or - 0.23 x 10 to the 3rd/sec at the 90-percent confidence level; this value is used to derive two line-intensity ratios which involve the intersystem line as a function of electron density and temperature.
A radio-frequency ion trap has been used to store C(2+) ions created by electron bombardment of CO. The transition probability for the 2s2p 3Po1-2s2 1S0 intersystem line of C m has been measured by recording the radiative decay at 190.9 nm. The measured A-value is 121 +/- 7/s and agrees, within mutual uncertainty limits, with that of Laughlin et al. (1978), but is 20 percent larger than that of Nussbaumer and Storey (1978). The effective collision mixing rate coefficient among the fine structure levels of 3Po and the combined quenching and charge transfer rate coefficients out of the 3Po1 level with the CO source gas have also been measured.
Bonn-Oppenheimer-based ab initio calculations of dipole moments from the i 3Pi sub g-b 3Sigma(+) sub u, c 3Pi sub u-a 3Sigma(+) sub g, and i 3Pi sub g-c 3Pi sub u transitions of H2 have been conducted, to yield a tabulation of the dipole transition probabilities and Franck-Condon factors. These factors are given for transitions originating in the lowest vibrational level of the ground X 1Sigma(+) sub g state.
A nucleic acid chain, L nucleotides in length, with the specific base sequence B(1)B(2) ... B(L) is defined by the L-dimensional vector B = (B(1), B(2), ..., B(L)). For twelve given constant non-negative transition probabilities that, in a specified position, the base B is replaced by the base B' in a single step, an exact analytical expression is derived for the probability that the position goes from base B to B' in X steps. Assuming that each base mutates independently of the others, an exact expression is derived for the probability that the initial gene sequence B goes to a sequence B' = (B'(1), B'(2), ..., B'(L)) after X = (X(1), X(2), ..., X(L)) base replacements. The resulting equations allow a more precise accounting for the effects of Darwinian natural selection in molecular evolution than does the idealized (biologically less accurate) assumption that each of the four nucleotides is equally likely to mutate to and be fixed as one of the other three. Illustrative applications of the theory to some problems of biological evolution are given.
We report on large-scale ab initio multiconfiguration Hartree-Fock calculations for the UV0.01 multiplet, 2s(sup 2)2p(sup 2)P(sub J) - 2s2p(sup 2 4)P(sub J prime), in N III. The resulting transition probabilities agree very well with recent semiempirical calculations, and the lifetimes for two of the three upper levels agree with experiments. The deviation for the third level is discussed. Comparisons made with the highest quality IUE echelle spectra available -- those of RR Tel and V1016 Cyg (both photoionized sources with electron densities below 10(exp 8)/cu cm) -- show that computed branching ratios of lines sharing a common upper level are in agreement with observations to within uncertainties of +/- 10%. High-quality solar limb data or stellar data from the Hubble Space Telescope (HST) could, in principle, be used to determine whether the theoretical or measured lifetimes for the discrepant level are in error. Unfortunately, stellar data for high-density plasmas (N(sub e) greater than 10(exp 11)/cu cm are needed) do not yet exist, and existing solar data lack the photometric precision to address this problem.
The beam-foil time-of-flight method has been used to investigate radiative lifetimes and transition rates involving allowed intrashell transitions within the L shell of highly ionized sulfur. The results for these transitions, which can be particularly correlation-sensitive, are compared with current calculations based upon multiconfigurational models.
Strengths and Stark-effect widths of the Sn I and Sn II lines prominent between 3200 and 7900 A are measured with a spectroscopic shock tube. Absolute strengths of 17 ionic lines are obtained with estimated (22-50)% accuracy and conform to appropriate quantum-mechanical sum rules. Relative transition probabilities for nine prominent neutral tin lines, normalized to radiative-lifetime data, are compared with other experiments and theoretical predictions. Parameters for Stark-effect broadening are measured over a range of plasma electron densities. Broadening data (with accuracies of 15-35%) for one neutral and ten ionic lines of tin are compared to theoretical predictions.
Recent analyses have led to an experimentally-based potential energy curve for the ground state of HF which includes nonadiabatic corrections and which joins smoothly to the long-range potential at an accurately determined dissociation limit. Using this potential curve and a new ab initio dipole moment function, accurate radiative transition probabilities among all vibrational levels of the ground state of HF have been calculated for selected rotational quantum numbers. Comparisons of Einstein A spontaneous emission coefficients, dipole moment absorption matrix elements, and Herman-Wallis factors for absorption bands are presented.