A surface-hopping quasi-classical trajectory study of lithium (2P) + hydrogen, deuterium quenching

1988 ◽  
Vol 92 (13) ◽  
pp. 3858-3863 ◽  
Author(s):  
Charles W. Eaker
Keyword(s):  
Classical Trajectory ◽  
Surface Hopping ◽  
Hydrogen Deuterium

Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry

2008 ◽  
Vol 129 (12) ◽  
pp. 124108 ◽  
Author(s):  
Enrico Tapavicza ◽  
Ivano Tavernelli ◽  
Ursula Rothlisberger ◽  
Claudia Filippi ◽  
Mark E. Casida
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Classical Trajectory ◽  
Time Dependent ◽  
Functional Theory ◽  
Surface Hopping ◽  
Dependent Density

The triplet channel in the photodissociation of ozone in the Hartley band: Classical trajectory surface hopping analysis

2005 ◽  
Vol 122 (19) ◽  
pp. 191102 ◽  
Author(s):  
Z.-W. Qu ◽  
H. Zhu ◽  
S. Yu. Grebenshchikov ◽  
R. Schinke
Keyword(s):  
Classical Trajectory ◽  
Surface Hopping ◽  
Hartley Band

scholarly journals Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

2015 ◽  
Vol 142 (10) ◽  
pp. 104307 ◽  
Author(s):  
Andrey K. Belyaev ◽  
Wolfgang Domcke ◽  
Caroline Lasser ◽  
Giulio Trigila
Keyword(s):  
Classical Trajectory ◽  
Nuclear Dynamics ◽  
Surface Hopping ◽  
Trajectory Calculations

Classical and semiclassical description of initial distributions of kaon capture by atomic hydrogen and deuterium

2013 ◽  
Vol 91 (3) ◽  
pp. 273-278 ◽  
Author(s):  
Rashid Riahi ◽  
Morteza Raeisi
Keyword(s):  
Cross Sections ◽  
Atomic Hydrogen ◽  
Classical Trajectory ◽  
Kaonic Hydrogen ◽  
Kaonic Atom ◽  
Large N ◽  
Hydrogen Deuterium ◽  
Classical Trajectory Monte Carlo ◽  
Initial Distributions ◽  
Capture Cross Sections

The moderation and capture of negative kaons by atomic hydrogen and deuterium were investigated by the classical trajectory Monte–Carlo (CTMC) and the semiclassical fermion molecular dynamics (FMD) methods. The dependence of ionization and capture cross sections on initial kaon energy was also studied. The initial populations of kaonic atom levels were calculated. The n distributions of kaonic atoms peaked close to the orbital giving optimum overlap with the displaced electronic orbital. The angular momentum distributions, l, are found to be approximately statistical but cut off at large l smaller than lmax = n − 1 in large n. The results are compared with the adiabatic ionization, diabatic states, and Born approximation methods. The FMD results were found to be in better agreement with quantum mechanical calculations than the ones from CTMC. The kaon kinetic energy spectrum prior to capture was calculated, which reveals that capture occurs at small collision energies up to the ionization energy. Also, the calculations show that kaonic hydrogen (deuterium) atoms have kinetic energies below 0.3 a.u. (0.15 a.u.) after formation.

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