Applications of Quantum Statistical Methods to the Treatment of Collisions

Dagdigian, Paul J.; Alexander, Millard H.

doi:10.1002/9781119374978.ch1

Cited by 3 publications

(3 citation statements)

References 108 publications

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“…In the former case, the initial and final states are in different arrangement channels, 85,86,108 while in the latter, they constitute the same arrangement channel. 109…”

Section: Quantum Scatteringmentioning

confidence: 99%

“…In the former case, the initial and final states are in different arrangement channels, 85,86,108 while in the latter, they constitute the same arrangement channel. 109 Within the phase space theory (PST), 110,111 the capture probabilities are obtained classically as,…”

Section: Statistical Modelsmentioning

confidence: 99%

“…106 As a consequence, the collision partners lose their memory and the dynamics can be treated statistically. 85,86,107–109 In such a statistical treatment, the scattering can be considered as two independent capture processes: the initial capture of the reactants by the well and the formation of the scattering products as an inverse capture. Based on this statistical assumption, the state-to-state transition probability P from an initial state i to a final state f is simply evaluated bywhere p is the capture probability of a specified state, i.e.…”

Section: Quantum Scatteringmentioning

confidence: 99%

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Recent advances in quantum theory on ro-vibrationally inelastic scattering

Yang

Guo

Xie

2023

Phys. Chem. Chem. Phys.

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“…In the former case, the initial and final states are in different arrangement channels, 85,86,108 while in the latter, they constitute the same arrangement channel. 109…”

Section: Quantum Scatteringmentioning

confidence: 99%

Section: Statistical Modelsmentioning

confidence: 99%

Section: Quantum Scatteringmentioning

confidence: 99%

See 1 more Smart Citation

Recent advances in quantum theory on ro-vibrationally inelastic scattering

Yang

Guo

Xie

2023

Phys. Chem. Chem. Phys.

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Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering

Zuo

Guo

2020

The Journal of Chemical Physics

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A full-dimensional rigorous quantum mechanical treatment of non-reactive inelastic scattering of an open-shell diatom [e.g., NO(2Π)] with a structureless and spinless atom is presented within the time-independent close-coupling framework. The inclusion of the diatomic vibrational degree of freedom allows the investigation of transitions between different vibrational manifolds, in addition to those between different rotational, spin–orbit, and Λ-doublet states. This method is applied to the scattering of vibrationally excited NO(2Π) with Ar and H (with its spin ignored). The former has negligible vibrational inelasticity, thanks to the weak interaction between the two collisional partners. This conclusion justifies the commonly used two-dimensional approximation in treating NO scattering with rare gas atoms. The latter, on the other hand, is shown to undergo significant vibrational relaxation, even in the ultra-cold regime, owing to a chemically bonded (HNO) complex on the lowest-lying singlet potential energy surfaces.

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Benchmarking an improved statistical adiabatic channel model for competing inelastic and reactive processes

Konings

Desrousseaux

Lique

et al. 2021

The Journal of Chemical Physics

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Inelastic collisions and elementary chemical reactions proceeding through the formation and subsequent decay of an intermediate collision complex, with associated deep well on the potential energy surface, pose a challenge for accurate fully quantum mechanical approaches, such as the close-coupling method. In this study, we report on the theoretical prediction of temperature-dependent state-to-state rate coefficients for these complex-mode processes, using a statistical quantum method. This statistical adiabatic channel model is benchmarked by direct comparison using accurate rate coefficients from the literature for a number of systems (

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Applications of Quantum Statistical Methods to the Treatment of Collisions

Cited by 3 publications

References 108 publications

Recent advances in quantum theory on ro-vibrationally inelastic scattering

Recent advances in quantum theory on ro-vibrationally inelastic scattering

Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering

Benchmarking an improved statistical adiabatic channel model for competing inelastic and reactive processes

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