Ion-pair formation in electron recombination with H 3 +

2006 ◽  
Vol 364 (1848) ◽  
pp. 2999-3005 ◽  
Author(s):  
Åsa Larson ◽  
Johanna Roos ◽  
Ann E Orel
Keyword(s):  
Cross Section ◽  
Potential Energy Surfaces ◽  
Rydberg States ◽  
Ion Pair ◽  
Pair Formation ◽  
Two Dimensions ◽  
Electron Recombination ◽  
Electron Collisions ◽  
Ion Pair Formation ◽  
Energy Surfaces

The process of resonant ion-pair formation following electron collisions with is studied. The relevant diabatic potential energy surfaces and the electronic couplings between these surfaces are calculated. The reaction is then described using a time-dependent approach with wave packets propagating on the coupled potentials. In order to describe the reaction, it is found necessary to include at least two dimensions in the model. The effects of the Rydberg states on the cross-section for this process are discussed.

An ab initio study of the potential energy surfaces for the collision between a Cs atom and an I2 molecule

2004 ◽  
Vol 82 (7) ◽  
pp. 1216-1222
Author(s):  
Xiaomin Sun ◽  
Dacheng Feng ◽  
Zhengting Cai ◽  
Wensheng Bian
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Cross Section ◽  
Potential Energy Surfaces ◽  
Ion Pair ◽  
Pair Formation ◽  
Nonadiabatic Coupling ◽  
Formation Cross Section ◽  
Ion Pair Formation ◽  
Energy Surfaces

For the Cs + I2 collision system, a systematic theoretical study is first reported using the ab initio method. Three of eight possible channels are considered. The nonadiabatic coupling between the covalent state and the ionic one is calculated from different angles, especially the T-shape collision. The complete ion-pair formation potential energy surfaces of the T-shape collision in two electronic states (ionic 2B2 state and covalent 2A1 state) and the reactive surface of the linear collision are constructed at the QCISD(T)/SDD level. The main features of potential energy surfaces, such as the minimum energy reaction path, the crossing radius (Rc), and energy minimum geometries, are analyzed. The cross section of this titled system is calculated based on the harpoon mechanism and compared with the available experimental data and those obtained for the M + I2 (M = Li, Na) systems.Key words: ab initio two-state potential energy surfaces, nonadiabatic coupling, ion-pair formation, cross section.

scholarly journals Ion-pair formation in electron recombination with molecular ions

2007 ◽  
Vol 88 ◽  
pp. 012065
Author(s):  
Å Larson ◽  
J B Roos ◽  
M Stenrup ◽  
A E Orel
Keyword(s):  
Molecular Ions ◽  
Ion Pair ◽  
Pair Formation ◽  
Electron Recombination ◽  
Ion Pair Formation

Resonant ion-pair formation in electron collisions withHD+andOH+

2000 ◽  
Vol 62 (4) ◽  
Author(s):  
Å. Larson ◽  
N. Djurić ◽  
W. Zong ◽  
C. H. Greene ◽  
A. E. Orel ◽  
...  
Keyword(s):  
Ion Pair ◽  
Pair Formation ◽  
Electron Collisions ◽  
Ion Pair Formation

Resonant Ion Pair Formation in Electron Collisions with Ground State Molecular Ions

1999 ◽  
Vol 83 (5) ◽  
pp. 951-954 ◽  
Author(s):  
W. Zong ◽  
G. H. Dunn ◽  
N. Djurić ◽  
M. Larsson ◽  
C. H. Greene ◽  
...  
Keyword(s):  
Ground State ◽  
Molecular Ions ◽  
Ion Pair ◽  
Pair Formation ◽  
Electron Collisions ◽  
Ion Pair Formation

Resonant ion-pair formation in electron collisions with rovibrationally coldH3+

2004 ◽  
Vol 69 (2) ◽  
Author(s):  
S. Kalhori ◽  
R. Thomas ◽  
A. Al-Khalili ◽  
A. Ehlerding ◽  
F. Hellberg ◽  
...  
Keyword(s):  
Ion Pair ◽  
Pair Formation ◽  
Electron Collisions ◽  
Ion Pair Formation

The role of Rydberg states in photoionization of NO2and (NO+, O−) ion pair formation induced by one VUV photon

2013 ◽  
Vol 139 (4) ◽  
pp. 044311 ◽  
Author(s):  
S. Marggi Poullain ◽  
K. Veyrinas ◽  
P. Billaud ◽  
M. Lebech ◽  
Y. J. Picard ◽  
...  
Keyword(s):  
Rydberg States ◽  
Ion Pair ◽  
Pair Formation ◽  
Ion Pair Formation

Resonant ion-pair formation in the recombination ofNO+with electrons: Cross-section determination

2001 ◽  
Vol 64 (1) ◽  
Author(s):  
A. Le Padellec ◽  
N. Djurić ◽  
A. Al-Khalili ◽  
H. Danared ◽  
A. M. Derkatch ◽  
...  
Keyword(s):  
Cross Section ◽  
Ion Pair ◽  
Pair Formation ◽  
Ion Pair Formation
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