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  • 1
    Publication Date: 2011-08-24
    Description: Electric dipole transition matrix elements for rovibrational transitions in the X (sup 1)Sigma(sup +) state of the CO minor isotopes (14)C(16)O and (13)C(17)O are calculated for the first time for all the delta v = +1, +2, and +3 transitions for which v less than or equal to 20 and J less than or equal to 150. Improved electric dipole transition matrix elements are also calculated for the minor isotopes (12)C(17)O, (12)C(18)O, (13)C(18)O. We have fitted polynomials to these matrix elements as a function of the parameter m which is defined in terms of the lower state angular momentum quantum number J; the convenient to use polynomial representations are given in tabular form. These results for the minor species of CO complement those previously reported by us for (12)C(16)O and (13)C(16)O.
    Keywords: ASTROPHYSICS
    Type: The Astrophysical Journal Supplement Series (ISSN 0067-0049); 92; 1; p. 311-321
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  • 2
    Publication Date: 2011-08-24
    Description: Improved electric dipole transition matrix elements for rovibrational transitions in the ground state X(1)Sigma(+) of (12)C(6)O and (13)C(16)O are calculated for all the delta v = +1, +2, and +3 transitions for which v less than or equal to 20 and J less than or equal to 150. We have fitted polynomials to these matrix elements as a function of the parameter m which is defined in terms of the lower state angular momentum quantum number J. These convenient to use polynomial representations are given in Tables 1-4 for (12)C(16)O and in Tables 5-8 for (13)C(16)O. We observe that there is intensity enhancement due to vibration-rotation interaction for the P-branch transitions at the expense of the R-branch transitions for delta v = +1. This enhancement can be as large as 40% at the highest J. For the delta v = +2 and +3 transitions, the R-branch transitions are enhanced by as much as a factor of 2.75 and 10 at the highest J, respectively. The P-branch transitions exhibit only minor decreases. Comparisons with previous calculations show good agreement for the delta v = +1 transitions. The comparison for delta v = +2 and +3 transitions show differences as large as a factor of 5.
    Keywords: ASTROPHYSICS
    Type: Astrophysical Journal Supplement Series (ISSN 0067-0049); 91; 1; p. 483-489
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  • 3
    Publication Date: 2011-08-24
    Description: Recent work aimed at determining the absolute rovibrational transition intensities for the ground electronic state of the hydroxyl radical is reviewed. Two new sets of Fourier transform emission spectra of OH are described which were recorded at the University of Paris and at the Kitt Peak National Solar Observatory.
    Keywords: ATOMIC AND MOLECULAR PHYSICS
    Type: Journal of Quantitative Spectroscopy and Radiative Transfer (ISSN 0022-4073); 48; 5-6; p. 667-673.
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  • 4
    Publication Date: 2006-02-14
    Description: It is well recognized and accepted that the interpretation and analysis of any type of remote planetary spectroscopic observation requires that basic molecular parameters be available. Furthermore, the newly developed capabilities of air, ground, and space borne spectrometers trained on bodies in the solar system are producing results which are extremely difficult to understand on the basis of available data. This is particularly true in the case of spectral features arising from gases and volatiles condensed as ices. With the objective to continue to extend the understanding of spectroscopic observations of solar system objects (including comets) , laboratory studies of both gas phase molecules and ices and dusts are proposed.
    Keywords: ASTRONOMY
    Type: NASA, Washington Reports of Planetary Astronomy, 1985; p 167-168
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  • 5
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    In:  Other Sources
    Publication Date: 2011-08-24
    Description: A complete line list with improved accuracy for all the rotation-vibration transitions of the fundamental, first, and second overtone bands up to v = 20 and J = 149 of the gradual state X 1 Sigma(+) of the seven CO isotopes -- (12)C(16)O, (13)C(16)O, (12)C(17)O, (12)C(18)O, (13)C(18)O, (14)C(16)O, and (13)c(17)O -- is made available to the astronomical community. A line list of the pure rotational transitions up to v = 5 and J = 60 is also made available for these seven isotopes. This line list contains the transition frequency, the lower state energy, the Einstein A-value, the g f-value, the transition strength at 3000 K or 1000 K for the pure rotational transitions, the expectation value of the effective dipole moment operator, and the quantum numbers of each transition. Individual partition functions are reported in the temperature range of 500 to 10,000 K. This line list is available as four text files from the author using an anonymous file transfer protocol (ftp) transfer and in computer-readable form in the AAS CD-ROM Series, Vol. 3.
    Keywords: ASTRONOMY
    Type: Astrophysical Journal Supplement Series (ISSN 0067-0049); 95; 2; p. 535-552
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  • 6
    Publication Date: 2011-08-24
    Description: In this paper, extrapolation to the limit in a finite-difference method is applied to solve a system of coupled Schroedinger equations. This combination results in a method that only requires knowledge of the potential energy functions for the system. This numerical procedure has several distinct advantages over the more conventional methods. Namely, initial guesses for the term values are not needed; assumptions need be made about the behavior of the wavefunctions, such as the slope or magnitude in the nonclassical region; and the algorithm is easy to implement, has a firm mathematical foundation, and provides error estimates. Moreover, the method is less sensitive to round-off error than other methods since a small number of mesh points is used and it can be implemented on small computers. A comparison of the method with another numerical method shows results agreeing within 1 part in 10 exp 4.
    Keywords: NUMERICAL ANALYSIS
    Type: Journal of Quantitative Spectroscopy & Radiative Transfer (ISSN 0022-4073); 47; 6, Ju
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  • 7
    Publication Date: 2011-08-24
    Description: A high-accuracy numerical method for the solution of a 1D Schroedinger equation that is suitable for a diatomic molecule, obtained by combining a finite-difference method with iterative extrapolation to the limit, is presently shown to have several advantages over more conventional methods. Initial guesses for the term values are obviated, and implementation of the algorithm is straightforward. The method is both less sensitive to round-off error, and faster than conventional methods for equivalent accuracy. These advantages are illustrated through the solution of Schroedinger's equation for a Morse potential function suited for HCl and a numerically derived Rydberg-Klein-Rees potential function for the X 1Sigma(+) state of CO.
    Keywords: ATOMIC AND MOLECULAR PHYSICS
    Type: Journal of Quantitative Spectroscopy and Radiative Transfer (ISSN 0022-4073); 47; 5, Ma
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  • 8
    Publication Date: 2011-08-24
    Description: We apply Richardson's extrapolation to zero mesh size to calculate the dissociation energies and wavefunctions of a double minimum potential curve for the E,F1Sigma(+)g state of H2. We demonstrate that a double minimum potential presents no difficulties and that this extrapolation method is to be preferred over a quadratic extrapolation or the use of a basis expansion.
    Keywords: ATOMIC AND MOLECULAR PHYSICS
    Type: Journal of Quantitative Spectroscopy & Radiative Transfer (ISSN 0022-4073); 48; 4; p. 467, 468.
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  • 9
    Publication Date: 2011-08-24
    Description: We present a list of frequencies, term values, Einstein A values, and assignments for the pure rotational transitions of the X2Pi state of the OH molecule. This list includes transitions from 3 to 2015/cm for Delta-v = 0, v-double-prime = 0-4, and J-double-prime = 0.5-49.5. The A values were computed using recent advances in calculating wave functions for a coupled system and an experimentally derived electric dipole moment function (Nelson et al., 1990) which exhibits curvature.
    Keywords: GEOPHYSICS
    Type: Journal of Geophysical Research (ISSN 0148-0227); 97; D18; p. 20,771-20,786.
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  • 10
    Publication Date: 2011-08-24
    Description: Results of observations of the carbon star TX Psc at high resolution in the 4000/cm spectral region and at moderate resolution from 2500 to 8000/cm are reported. The opacity sampling technique is employed to present model atmospheres of carbon stars with normal solar oxygen abundance and deep envelope composition that include HCN and C2H2. The oxygen abundance of TX Psc is found to be more accurately represented by a deep envelope composition depleted in oxygen by roughly two orders of magnitude than by a solar oxygen abundance. Polyatomic opacities influence the CO line depths and the derived oxygen abundance as a second-order effect. Polyatomic bands appear to be far too strong in the models, implying the need for another source of opacity to backwarm the outer atmosphere and thereby limit the polyatomic band depths. Dust, rather than polyatomic molecules, is a candidate for the backwarming opacity.
    Keywords: ASTROPHYSICS
    Type: Astrophysical Journal, Part 1 (ISSN 0004-637X); 402; 2; p. 680-693.
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