scholarly journals Publisher’s Note: “The boomerang effect in electron-hydrogen molecule scattering as determined by time-dependent calculations” [J. Chem. Phys. 146, 204303 (2017)]

2017 ◽  
Vol 146 (22) ◽  
pp. 229901
Author(s):  
Anael Ben-Asher ◽  
Nimrod Moiseyev
Keyword(s):  
Hydrogen Molecule ◽  
Chem Phys ◽  
Time Dependent ◽  
Boomerang Effect ◽  
Molecule Scattering

Low-energy positron–hydrogen molecule scattering

1982 ◽  
Vol 60 (4) ◽  
pp. 597-600 ◽  
Author(s):  
Sukanya Sur ◽  
A. S. Ghosh
Keyword(s):  
Cross Sections ◽  
Effective Potential ◽  
Qualitative Agreement ◽  
Hydrogen Molecule ◽  
Low Energy ◽  
Total Cross Sections ◽  
Model Potentials ◽  
Theoretical Predictions ◽  
Molecule Scattering

The method of Hara using two centre formalism has been employed to investigate positron–hydrogen molecule scattering at low incident energies. Two model potentials have been used to see the importance of the choice of effective potential. It has been found that the total cross sections are sensitive to the details of the effective potential. The present results are in qualitative agreement with measured values and other existing theoretical predictions.

RESONANCES IN H+HLi SCATTERING FOR NONZERO TOTAL ANGULAR MOMENTUM (J > 0): A TIME-DEPENDENT WAVE PACKET APPROACH

2006 ◽  
Vol 05 (04) ◽  
pp. 871-885 ◽  
Author(s):  
R. PADMANABAN ◽  
S. MAHAPATRA
Keyword(s):  
Angular Momentum ◽  
Wave Packet ◽  
Total Angular Momentum ◽  
Energy Surface ◽  
Chem Phys ◽  
Time Dependent ◽  
Coriolis Coupling ◽  
Initial State ◽  
Sudden Approximation ◽  
Franck Condon

The resonances in H + HLi scattering for nonzero total angular momentum (J > 0) are examined here by a time-dependent wave packet approach employing an ab initio potential energy surface (PES) [Dunne LJ, Murrell JN, Jemmer P, Chem Phys Lett336: 1, 2001] of the system. The resonances are identified by calculating a set of pseudospectra corresponding to the Franck–Condon transition of a hypothetical initial state to the interaction region of the H + HLi PES. The resonances are characterized by calculating their eigenfunctions and linewidth lifetimes. The resonances for J ≠ 0 are discussed in relation to their counterpart for J = 0. The effect of Coriolis coupling on the resonances obtained from the centrifugal sudden approximation for J = 2 and for K = 0,1,2 is examined.

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