Electron-capture processes in the collision of metastable<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">B</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>(1<i>s</i>2<i>s</i>) on atomic hydrogen

Bacchus‐Montabonel, Marie‐Christine; Fraija, F.

doi:10.1103/physreva.49.5108

Cited by 26 publications

(9 citation statements)

References 14 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…with the parameter ∆=0.0012 a.u. previously tested [16]. For reasons of numerical accuracy, we performed a three-point numerical differentiation using calculations at R + ∆ and R -∆ for a very large number of interatomic distances in the avoided-crossing region.…”

Section: Molecular Hamiltonianmentioning

confidence: 99%

Quantum dynamics of the charge transfer in C⁺+ S at low collision energies

Chenel¹,

Mangaud²,

Justum³

et al. 2010

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

View full text Add to dashboard Cite

Following a recent semiclassical investigation by Bacchus-Montabonel M C and Talbi D (2008 Chem. Phys. Lett. 467, 28), the C + (2s 2 2p) 2 P + S(3s 2 3p 4 ) 3 P charge transfer process involved in the modellisation of the interstellar medium chemistry and its reverse reaction are revisited by combining a wave packet approach and semiclassical dynamics in a quasimolecular approach for doublet and quartet states. New radial non adiabatic coupling matrix elements have been calculated and the mixed treatment gives access to new precise values of the rate coefficients for the direct and reverse charge transfer processes. For this system, quantum and semiclassical results are in good agreement even at low collision kinetic energies. The dominance of the quartet states in the process is confirmed. In the quantum treatment, the collision matrix elements are extracted from wave packets by the flux method with an absorbing potential. The formation of resonances due to a centrifugal barrier is illustrated.Confidential: not for distribution.

show abstract

Section: Molecular Hamiltonianmentioning

confidence: 99%

Quantum dynamics of the charge transfer in C⁺+ S at low collision energies

Chenel¹,

Mangaud²,

Justum³

et al. 2010

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

View full text Add to dashboard Cite

show abstract

“…[41] and using the three-point numerical differentiation method for sake of good numerical accuracy. by taking the centre of mass of the system as the origin of electronic coordinates [42].…”

Section: Molecular Calculationsmentioning

confidence: 99%

Theoretical study of charge exchange dynamics in He+ + NO collisions

Bene

Bacchus‐Montabonel²

2014

Eur. Phys. J. D

View full text Add to dashboard Cite

We investigate the charge transfer mechanism in the collisions of helium ions on nitric oxide using a molecular description framework with consideration of the orientation of the projectile toward the target. The anisotropy of the collision process has been analysed in detail in connection with the non-adiabatic interactions around avoided crossings. Potential energy curves, radial and rotational coupling matrix elements have been determined by means of ab initio quantum chemical methods. The collision dynamics is performed in the [1.-25.] keV collision energy range using a semiclassical approach, and the total electron transfer cross sections are analysed with regard to available experimental data. I.

show abstract

“…As previously tested, parameter was fixed at 0.0012 a.u., and we have used the three-point numerical differentiation method for reasons of numerical accuracy [8,22].…”

Section: Adiabatic Potential-energy Curves and Couplings Calculatmentioning

confidence: 99%

“…In that sense, important experimental and theoretical papers have been devoted to collisions of boron ions with atomic and molecular hydrogen or helium targets. In previous papers, we have investigated, for example, collisions of B 3+ ions with H 2 and He targets as well as the charge transfer of B 4+ ions in collision with atomic hydrogen and helium [6][7][8][9][10][11][12][13]. We also have analyzed the electron-capture processes between the B 2+ dication with atomic hydrogen [14].…”

Section: Introductionmentioning

confidence: 99%

Ab initiostudy of charge exchange in collisions of B2+ions with Ne and Ar targets

et al. 2012

View full text Add to dashboard Cite

The electron-capture processes in collisions of B 2+ ions with neon and argon targets have been studied theoretically using ab initio multireference configuration interaction potential-energy curves and nonadiabatic couplings. The cross sections for the simple capture process have been calculated using the semiclassical collision methods in the 10 −2 -2-a.u. velocity range (E lab ≈ [0.02-1080 keV]) and have been compared with the available experimental data. The charge-transfer mechanism is analyzed with regard to the radial and rotational interactions and appears to be quite different for both systems. Good agreement is found with the measured cross sections.

show abstract

Electron-capture processes in the collision of metastableB3+(1s2s) on atomic hydrogen

Cited by 26 publications

References 14 publications

Quantum dynamics of the charge transfer in C⁺+ S at low collision energies

Quantum dynamics of the charge transfer in C⁺+ S at low collision energies

Theoretical study of charge exchange dynamics in He+ + NO collisions

Ab initiostudy of charge exchange in collisions of B2+ions with Ne and Ar targets

Contact Info

Product

Resources

About

Electron-capture processes in the collision of metastableB3+(1s2s) on atomic hydrogen

Cited by 26 publications

References 14 publications

Quantum dynamics of the charge transfer in C++ S at low collision energies

Quantum dynamics of the charge transfer in C++ S at low collision energies

Theoretical study of charge exchange dynamics in He+ + NO collisions

Ab initiostudy of charge exchange in collisions of B2+ions with Ne and Ar targets

Contact Info

Product

Resources

About

Quantum dynamics of the charge transfer in C⁺+ S at low collision energies

Quantum dynamics of the charge transfer in C⁺+ S at low collision energies