Electron impact excitations of S2 molecules

Tashiro, Megumi

doi:10.1016/j.cplett.2008.01.048

Cited by 16 publications

(18 citation statements)

References 27 publications

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“…We have good agreement with the calculation of Tashiro [11], and reasonable agreement with [7,9,10] for vertical excitation energies.…”

Section: B S 2 Target and Scattering Modelsupporting

confidence: 80%

“…In Fig. 3, we have compared our results with another R-matrix calculation [11], which is in good agreement. We have also shown the electronic excitation results, for e-O 2 scattering [32] and e-SO scattering [33], using the R-matrix method.…”

Section: A Elastic and Inelastic Total Cross Sectionssupporting

confidence: 61%

“…The potential energy curves for 13 lowest electronic states of S 2 were computed [10] at the multireference CI level using complete active space self-consistent field (CASSCF) orbitals with correlation-consistent cc-pVQZ basis set. Recently the electron-impact excitation of S 2 molecules was studied using the fixed-nuclei R-matrix method based on state-averaged CASSCF orbitals by Tashiro [11] with the cc-pVTZ basis set. The author [11] included 13 target states,…”

Section: Introductionmentioning

confidence: 99%

“…Recently the electron-impact excitation of S 2 molecules was studied using the fixed-nuclei R-matrix method based on state-averaged CASSCF orbitals by Tashiro [11] with the cc-pVTZ basis set. The author [11] included 13 target states,…”

Section: Introductionmentioning

confidence: 99%

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Electron-impact study of the S2molecule using theR-matrix method

Singh

Baluja

2011

Phys. Rev. A

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The present study deals with the calculation of elastic [integrated and differential cross section (DCS)], momentum-transfer, excitation, and ionization cross sections for electron impact on S 2 molecules using the R-matrix method. The target states are represented by including correlations via a configuration-interaction technique. We used a double zeta plus polarization Gaussian basis set contracted as (12,8,1)/(6,4,1) for S atoms. The results of the static exchange, correlated one-state, and 20-state close-coupling approximations are presented. We have detected a stable anionic bound state 2 g of S 2 − having the configuration 1σ 2 g · · ·5σ 2 g 1σ 2 u · · · 4σ 2 u 1π 4 u 1π 4 g 2π 4 u 2π 3 g . The vertical electron affinity value is 1.42 eV, which is comparable with the experimental value of 1.67 ± 0.015 eV. We detected two shape resonances, both of 2 u symmetry in the excitation cross sections of the 1 g and 1 + g excited states. The dissociative nature of these resonances is explored by performing scattering calculations in which the S-S bond is stretched. These resonances support dissociative attachment, yielding S and S − . We have also predicted six resonances of various symmetries ( 2 A u , 2 B 1g , 4 A u , 4 B 1g ) in the X 3 g − → B 3 u − transition. We have calculated the DCS, in a correlated one-state model, by using the POLYDCS program of Sanna and Gianturco. The data from the momentum-transfer cross section, generated from DCS, are used to compute effective collision frequencies over a wide electron temperature range (200-30 000 K). The ionization cross sections are calculated in the binary-encounter Bethe model in which Hartree-Fock molecular orbitals at a self-consistent level are used to calculate kinetic and binding energies of the occupied molecular orbitals. We have included up to g-partial wave (l = 4) in the scattering calculations. For this molecule we have used a Born-closure top-up procedure to account for the higher partial waves for the convergence of the cross section for the dipole-allowed excitation from the ground state. We have also evaluated the scattering length of the S 2 molecule, which is equal to 2.615a 0 .

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“…We have good agreement with the calculation of Tashiro [11], and reasonable agreement with [7,9,10] for vertical excitation energies.…”

Section: B S 2 Target and Scattering Modelsupporting

confidence: 80%

Section: A Elastic and Inelastic Total Cross Sectionssupporting

confidence: 61%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Electron-impact study of the S2molecule using theR-matrix method

Singh

Baluja

2011

Phys. Rev. A

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“…37,38 For e/S 2 , the momentumtransfer, excitation, and ionization cross sections using the R-matrix method were taken into account. 39,40 The total ionization cross section for SF, SF 2 , SF 3 , SF 4 , and SF 5 calculated by the recently developed binary-encounter-Bethe (BEB) model, was used for their consistency. 41 For the sets of collision cross sections for electron/SF 6 , electron/F 2 , electron/S, and electron/F, the basic data used for the compilation are from Cliteur et al, 14 Yousfi et al, 15 Itoh et al, 42 Miller et al, 43 Hayashi and Nimura, 44 Morgan, 45 and references given therein.…”

Section: A Cross Section Datamentioning

confidence: 99%

Investigation on critical breakdown electric field of hot sulfur hexafluoride/carbon tetrafluoride mixtures for high voltage circuit breaker applications

Wang

Murphy

Rong

et al. 2013

Journal of Applied Physics

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Rate coefficient and collision frequency for electron collision process in hot SF₆ gas under electric field: electrical breakdown property at 300–3000 K

Yokomizu

Murakita

Kojima

et al. 2018

IEEJ Transactions Elec Engng

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Hot SF 6 gas of several thousand kelvins is produced during the current interruption process in a gas circuit breaker. If the hot gas is subjected to an electric field, electrical breakdown of the hot gas can occur as a consequence of the ionization and attachment processes by electron impact. The probability of occurrence of the process is stated in terms of a rate coefficient. First, this paper describes the rate coefficients of the electron impact processes in the hot SF 6 gas subjected to an electric field. The rate coefficients in SF 6 gas in the range 300-3000 K at 0.6 MPa are evaluated for 21 processes such as SF 4 + e → SF 4 + + 2e and F 2 + e → (F 2 − ) * → F − + F. Second, using these rate coefficients we obtain the collision frequencies of the 21 processes and find out the predominant processes in the hot SF 6 gas. Finally, 26 continuity equations with the rate coefficients are expressed in terms of the particle number densities. Using numerical solutions of the continuity equations, we derive the critical electric field of SF 6 gas for different temperatures. Furthermore, comparative discussions are presented on the critical electric field strength and the collision cross-sections shown in other published papers. The present study is considered to provide the rate coefficients and the critical electric field strengths with higher accuracy.

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Electron impact excitations of S2 molecules

Cited by 16 publications

References 27 publications

Electron-impact study of the S2molecule using theR-matrix method

Electron-impact study of the S2molecule using theR-matrix method

Investigation on critical breakdown electric field of hot sulfur hexafluoride/carbon tetrafluoride mixtures for high voltage circuit breaker applications

Rate coefficient and collision frequency for electron collision process in hot SF₆ gas under electric field: electrical breakdown property at 300–3000 K

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Electron impact excitations of S2 molecules

Cited by 16 publications

References 27 publications

Electron-impact study of the S2molecule using theR-matrix method

Electron-impact study of the S2molecule using theR-matrix method

Investigation on critical breakdown electric field of hot sulfur hexafluoride/carbon tetrafluoride mixtures for high voltage circuit breaker applications

Rate coefficient and collision frequency for electron collision process in hot SF6 gas under electric field: electrical breakdown property at 300–3000 K

Contact Info

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Rate coefficient and collision frequency for electron collision process in hot SF₆ gas under electric field: electrical breakdown property at 300–3000 K