Quantum‐Mechanical Calculations of the Inelastic Cross Sections for Rotational Excitation of Para and Ortho H2 upon Collision with He

1968 ◽  
Vol 48 (10) ◽  
pp. 4682-4693 ◽  
Author(s):  
B. Robert Johnson ◽  
Don Secrest
Keyword(s):  
Cross Sections ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Rotational Excitation

Quantum mechanical calculations of effective collision cross-sections for He-N2interaction

1991 ◽  
Vol 72 (6) ◽  
pp. 1347-1364 ◽  
Author(s):  
Frederick R.W. McCourt ◽  
Velisa Vesovic ◽  
William A. Wakeham ◽  
Alan S. Dickinson ◽  
Merih Mustafa
Keyword(s):  
Cross Sections ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
Collision Cross Sections ◽  
Effective Collision

Seemingly Anomalous Angular Distributions in H + D2 Reactive Scattering

Science ◽  
2012 ◽  
Vol 336 (6089) ◽  
pp. 1687-1690 ◽  
Author(s):  
Justin Jankunas ◽  
Richard N. Zare ◽  
Foudhil Bouakline ◽  
Stuart C. Althorpe ◽  
Diego Herráez-Aguilar ◽  
...  
Keyword(s):  
Cross Sections ◽  
Collision Energy ◽  
Minimum Energy ◽  
Angular Distributions ◽  
Quantum Mechanical ◽  
Minimum Energy Path ◽  
Reactive Scattering ◽  
Rotational Excitation ◽  
Reaction Products ◽  
Trajectory Calculations

When a hydrogen (H) atom approaches a deuterium (D2) molecule, the minimum-energy path is for the three nuclei to line up. Consequently, nearly collinear collisions cause HD reaction products to be backscattered with low rotational excitation, whereas more glancing collisions yield sideways-scattered HD products with higher rotational excitation. Here we report that measured cross sections for the H + D2 → HD(v′ = 4, j′) + D reaction at a collision energy of 1.97 electron volts contradict this behavior. The anomalous angular distributions match closely fully quantum mechanical calculations, and for the most part quasiclassical trajectory calculations. As the energy available in product recoil is reduced, a rotational barrier to reaction cuts off contributions from glancing collisions, causing high-j′ HD products to become backward scattered.

The H + HeH+ → He + H2+ reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants

2014 ◽  
Vol 16 (23) ◽  
pp. 11662-11672 ◽  
Author(s):  
Dario De Fazio
Keyword(s):  
Cross Sections ◽  
Rate Constants ◽  
Quantum Mechanical ◽  
Theoretical Studies ◽  
Quantum Mechanical Calculations ◽  
Exact Quantum ◽  
Three Body ◽  
Experimental And Theoretical Studies

Benchmark quantum mechanical calculations from the Wigner's regime to the three-body breakup are compared to previous experimental and theoretical studies.

Observation of Partial Wave Resonances in Low-Energy O2–H2 Inelastic Collisions

Science ◽  
2013 ◽  
Vol 341 (6150) ◽  
pp. 1094-1096 ◽  
Author(s):  
Simon Chefdeville ◽  
Yulia Kalugina ◽  
Sebastiaan Y. T. van de Meerakker ◽  
Christian Naulin ◽  
François Lique ◽  
...  
Keyword(s):  
Partial Wave ◽  
Cross Sections ◽  
Ground State ◽  
Total Angular Momentum ◽  
Inelastic Collisions ◽  
Quantum Mechanical ◽  
Quantum Scattering ◽  
Rotational Excitation ◽  
Collision Processes ◽  
Theoretical Results

Partial wave resonances predicted to occur in bimolecular collision processes have proven challenging to observe experimentally. Here, we report crossed-beam experiments and quantum-scattering calculations on inelastic collisions between ground-state O2 and H2 molecules that provide state-to-state cross sections for rotational excitation of O2 (rotational state N = 1, j = 0) to O2 (N = 1, j = 1) in the vicinity of the thermodynamic threshold at 3.96 centimeter−1. The close agreement between experimental and theoretical results confirms the classically forbidden character of this collision-induced transition, which occurs exclusively in a purely quantum mechanical regime via shape and Feshbach resonances arising from partial waves with total angular momentum (J) = 2 to 4.

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