2024-03-28T18:29:06Zhttp://uvadoc.uva.es/oai/requestoai:uvadoc.uva.es:10324/226262021-06-23T11:52:46Zcom_10324_1186com_10324_931com_10324_894col_10324_1404
UVaDOC
author
Velasco Sanz, Ana María
author
Lavín Puente, María del Carmen
author
Díaz Tinoco, Manuel
author
Ortiz, J. V.
2017-03-15T12:42:26Z
2017-03-15T12:42:26Z
2017
Journal of Quantitative Spectroscopy and Radiative Transfer, Volume 187, January 2017, p. 161–166
http://uvadoc.uva.es/handle/10324/22626
10.1016/j.jqsrt.2016.09.024
Journal of Quantitative Spectroscopy and Radiative Transfer
In this work, electron-propagator methods are applied to the calculation of the ionization potential and vertical excitation energies for several Rydberg series of the CaH molecule. The present calculations cover more highly excited states than those previously reported. In particular, excitation energies for ns (n>5), np (n>5), nd (n>4) and nf Rydberg states are given. Oscillator strengths for electronic transitions involving Rydberg states of CaH, as well as photoionization cross sections for Rydberg channels, also have been determined by using the Molecular Quantum Defect Orbital approach. Good agreement has been found with the scarce comparative data that are available for oscillator strengths. To our knowledge, predictions of photoionization cross sections from the outermost orbital of CaH are made here for the first time. A Cooper minimum and mixed atomic orbital character in some of the Dyson orbitals are among the novel features of these present calculations
eng
Attribution-NonCommercial-NoDerivatives 4.0 International
CaH Rydberg Series, Oscillator Strengths and Photoionization Cross Sections from Molecular Quantum Defect and Dyson Orbital Theories
info:eu-repo/semantics/article
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https://uvadoc.uva.es/bitstream/10324/22626/1/2016-JQSRT-CaH.pdf
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88f275e5b21050c4d1d14533dbeda58f
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2016-JQSRT-CaH.pdf