Multi‐channel coupling effects for electronic excitations leading to the b3∑, a3∑, and c3∏u states of H2

Taveira, A. M. A.; Brescansin, L. M.; Machado, A. M.; Lee, M.‐T.

doi:10.1002/qua.21006

Int J of Quantum Chemistry

2006

DOI: 10.1002/qua.21006

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Multi‐channel coupling effects for electronic excitations leading to the b³∑, a³∑, and c³∏_u states of H₂

A. M. A. Taveira

L. M. Brescansin

A. M. Machado

et al.

Abstract: ABSTRACT:In this work we use the unitarized distorted wave method to study the effect of multi-channel coupling on the calculated electronic excitation cross sections in H 2 . Specifically, such an effect for electronic excitations leading to the excited states

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“…Other experimental investigations (Mason and Newell 1986, Ottinger and Rox 1991, Ajello and Shemansky 1993, Furlong and Newell 1995, Harries et al 2004 measured only the relative values of cross sections or excitation functions and require normalizations to certain standards to obtain absolute values. Theoretical calculations include those by Chung et al (1975), Lee et al (1993Lee et al ( , 1996, Stibbe and Tennyson (1998), Trevisan and Tennyson (2002), Laricchiuta et al (2004), da Costa et al (2005, and Taveira et al (2006).…”

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confidence: 99%

Energies, transition probabilities, predissociation rates, and lifetimes of the ${{\rm{H}}}_{2}$, HD, and ${{\rm{D}}}_{2}$ $c{}^{3}{{\rm{\Pi }}}_{u}^{-}$ state

Liu

Shemansky

Yoshii

et al. 2017

J. Phys. B: At. Mol. Opt. Phys.

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Transition probabilities of H 2 , HD, and D 2 Pc u 3 − S + a g 3 electric dipole, Pc u 3 − S + b u 3 discretecontinuum magnetic dipole, and electric quadrupole transitions have been calculated using accurate energies and ro-vibrational wave functions obtained from precise ab initio potential energy curves. The predissociation rates of the Pc u 3 (v N , ) levels by direct and indirect spinspin and spin-orbit coupling between Pc u 3 − S + b u 3 fine structure levels, have been also determined. The present investigation achieved good agreement with measured lifetimes of the Pc u 3 fine structure levels without adjustment. A comparison of the calculated and observed lifetimes of metastable H 2 , HD, and D 2 suggests that the Pc u 3 − S + b u 3 magnetic dipole and electric quadrupole transition moments underestimate the spontaneous emission rate of the metastable levels by ∼370 s −1 . The measured and calculated lifetimes of H 2 , HD, and D 2 fine structure levels are in very good agreement after the adjustment of 370 s −1 to the spontaneous decay rate of the Pc u 3 − S + b u 3 transition. The calculated energies, transition probabilities, and predissociation rates obtained in the present work, along with the P c u 3 state excitation function, are sufficient to determine the P c u 3 state emission cross section, the kinetic energy distribution of H(1s) atoms, and the energy deposition rate of the S + X g 1 − P c u 3 excitation. In a previous investigation by Berg and Ottinger (1994 J. Chem. Phys. 100 8746), the authors were forced to insert a large scale factor into the predissociation rate in order to reconcile with measured lifetimes. Errors introduced in the approximations made in the previous investigations are discussed in the text. The H 2 P c u 3 state has the second largest triplet state excitation cross section. Predissociation and spontaneous emission of the P c u 3 state plays an important role in the energy deposition of H 2 -dominated atmospheres.

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confidence: 99%

Energies, transition probabilities, predissociation rates, and lifetimes of the ${{\rm{H}}}_{2}$, HD, and ${{\rm{D}}}_{2}$ $c{}^{3}{{\rm{\Pi }}}_{u}^{-}$ state

Liu

Shemansky

Yoshii

et al. 2017

J. Phys. B: At. Mol. Opt. Phys.

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KINETIC ENERGY DISTRIBUTION OF H(1s) FROM H₂X¹Σ⁺_g-a³Σ⁺_gEXCITATION AND LIFETIMES AND TRANSITION PROBABILITIES OFa³Σ⁺_g(v,J)

Liu

Johnson

Malone

et al. 2010

ApJ

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SPECTRA, EMISSION YIELDS, CROSS SECTIONS, AND KINETIC ENERGY DISTRIBUTIONS OF HYDROGEN ATOMS FROM H₂ – EXCITATION BY ELECTRON IMPACT

Liu

Shemansky

Yoshii

et al. 2016

ApJ

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Multi‐channel coupling effects for electronic excitations leading to the b³∑, a³∑, and c³∏_u states of H₂

Abstract: ABSTRACT:In this work we use the unitarized distorted wave method to study the effect of multi-channel coupling on the calculated electronic excitation cross sections in H 2 . Specifically, such an effect for electronic excitations leading to the excited states

Cited by 4 publications

References 31 publications

Energies, transition probabilities, predissociation rates, and lifetimes of the ${{\rm{H}}}_{2}$, HD, and ${{\rm{D}}}_{2}$ $c{}^{3}{{\rm{\Pi }}}_{u}^{-}$ state

Energies, transition probabilities, predissociation rates, and lifetimes of the ${{\rm{H}}}_{2}$, HD, and ${{\rm{D}}}_{2}$ $c{}^{3}{{\rm{\Pi }}}_{u}^{-}$ state

KINETIC ENERGY DISTRIBUTION OF H(1s) FROM H₂X¹Σ⁺_g-a³Σ⁺_gEXCITATION AND LIFETIMES AND TRANSITION PROBABILITIES OFa³Σ⁺_g(v,J)

SPECTRA, EMISSION YIELDS, CROSS SECTIONS, AND KINETIC ENERGY DISTRIBUTIONS OF HYDROGEN ATOMS FROM H₂ – EXCITATION BY ELECTRON IMPACT

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Multi‐channel coupling effects for electronic excitations leading to the b3∑, a3∑, and c3∏u states of H2

Abstract: ABSTRACT:In this work we use the unitarized distorted wave method to study the effect of multi-channel coupling on the calculated electronic excitation cross sections in H 2 . Specifically, such an effect for electronic excitations leading to the excited states

Cited by 4 publications

References 31 publications

Energies, transition probabilities, predissociation rates, and lifetimes of the ${{\rm{H}}}_{2}$, HD, and ${{\rm{D}}}_{2}$ $c{}^{3}{{\rm{\Pi }}}_{u}^{-}$ state

Energies, transition probabilities, predissociation rates, and lifetimes of the ${{\rm{H}}}_{2}$, HD, and ${{\rm{D}}}_{2}$ $c{}^{3}{{\rm{\Pi }}}_{u}^{-}$ state

KINETIC ENERGY DISTRIBUTION OF H(1s) FROM H2X1Σ+g-a3Σ+gEXCITATION AND LIFETIMES AND TRANSITION PROBABILITIES OFa3Σ+g(v,J)

SPECTRA, EMISSION YIELDS, CROSS SECTIONS, AND KINETIC ENERGY DISTRIBUTIONS OF HYDROGEN ATOMS FROM H2 – EXCITATION BY ELECTRON IMPACT

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Product

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About

Multi‐channel coupling effects for electronic excitations leading to the b³∑, a³∑, and c³∏_u states of H₂

KINETIC ENERGY DISTRIBUTION OF H(1s) FROM H₂X¹Σ⁺_g-a³Σ⁺_gEXCITATION AND LIFETIMES AND TRANSITION PROBABILITIES OFa³Σ⁺_g(v,J)

SPECTRA, EMISSION YIELDS, CROSS SECTIONS, AND KINETIC ENERGY DISTRIBUTIONS OF HYDROGEN ATOMS FROM H₂ – EXCITATION BY ELECTRON IMPACT