A comparison between the sensitivity behavior of direct and long‐lived classical trajectories and quantum wave packets

1989 ◽  
Vol 90 (4) ◽  
pp. 2274-2282 ◽  
Author(s):  
R. S. Judson ◽  
S. Shi ◽  
H. Rabitz
Keyword(s):  
Wave Packets ◽  
Classical Trajectories ◽  
Quantum Wave

Theoretical investigations of the Au++H2 reactive scattering by the time-dependent quantum wave packet method

2017 ◽  
Vol 31 (06) ◽  
pp. 1750039 ◽  
Author(s):  
Wentao Lee ◽  
Haixiang He ◽  
Maodu Chen
Keyword(s):  
Wave Packet ◽  
Cross Sections ◽  
Collision Energy ◽  
Time Dependent ◽  
Reactive Scattering ◽  
Total Reaction ◽  
Theoretical Investigations ◽  
Classical Trajectories ◽  
Quantum Wave

Employing the state-to-state time-dependent quantum wave packet method, the Au[Formula: see text]H2 reactive scattering with initial states [Formula: see text], [Formula: see text] and 1 were investigated. Total reaction probabilities, product state-resolved integral cross-sections (ICSs) and differential cross-sections (DCSs) were calculated up to collision energy of 4.5 eV. The numerical results show that total reaction probabilities and ICSs increase with increasing collision energies, and there is little effect to the reactive scattering processes from the rotational excitation of H2 molecule. Below collision energy of around 3.0 eV, the role of the potential well in the entrance channel is significant and the reactive scattering proceeds dominantly by an indirect process, which leads to a nearly symmetric shape of the DCSs. With collision energy higher than 4.0 eV, the reactive scattering proceeds through a direct process, which leads to a forward biased DCSs, and also a hotter rotational distributions of the products. Total ICS agrees with the results by the quasi-classical trajectories theory very well, which suggests that the quantum effects in this reactive process are not obvious. However, the agreement between the experimental total cross-section and our theoretical result is not so good. This may be due to the uncertainty of the experiment or/and the inaccuracy of the potential energy surface.

NONADIABATIC EFFECTS IN FEMTOSECOND PHOTOIONIZATION OF NaI MOLECULE

2011 ◽  
Vol 10 (04) ◽  
pp. 509-518 ◽  
Author(s):  
HONG-BIN YAO ◽  
SHI-YING LIN ◽  
YU-JUN ZHENG
Keyword(s):  
Wave Packet ◽  
Photoelectron Spectroscopy ◽  
Wave Packets ◽  
Experimental Results ◽  
Nonadiabatic Coupling ◽  
Time Resolved ◽  
Nonadiabatic Effect ◽  
Pump And Probe ◽  
Quantum Wave ◽  
Nonadiabatic Effects

In this work, the nonadiabatic effects in the femtosecond photoionization of NaI molecule driven by pump and probe pulses are investigated theoretically using the accurate quantum wave packet method. The calculation with the inclusion of nonadiabatic coupling remarkably improves the agreement with experimental results of Jouvet et al. [J Phys Chen A101: 2555, 1997], indicating the importance of the nonadiabatic effect. Moreover, the dynamical evolutions of wave packets and their corresponding time-resolved photoelectron spectroscopy are presented both on the adiabatic and diabatic potentials. These comparisons contribute to further understanding of the influences of nonadiabatic effects in the femtosecond photoionization of NaI molecule.

On rephasing mechanisms of quantum wave packets

1989 ◽  
Vol 104 (1) ◽  
pp. 1-15
Author(s):  
M. Rosina ◽  
P. Van Leuven
Keyword(s):  
Wave Packets ◽  
Quantum Wave

CONTROLLING WAVE PACKET INTERFERENCE OF DISSOCIATING MOLECULES BY SHAPING LASER PULSES IN FREQUENCY DOMAIN

2008 ◽  
Vol 07 (06) ◽  
pp. 1159-1169 ◽  
Author(s):  
YONG-CHANG HAN ◽  
KAI-JUN YUAN ◽  
SHU-LIN CONG
Keyword(s):  
Wave Packet ◽  
Frequency Domain ◽  
Laser Field ◽  
Wave Packets ◽  
Laser Pulses ◽  
Time Dependent ◽  
Pulse Excitation ◽  
Density Functions ◽  
Excitation Scheme ◽  
Quantum Wave

The interference of dissociating wave packets for the Br 2 molecule in femtosecond laser field is studied theoretically using time-dependent quantum wave packet method. The interference of dissociating wave packets can be determined by the spectrum of laser field. By shaping laser pulses in frequency domain, the corresponding R- and v-dependent density functions can be effectively controlled. Compared with the 2-pulse excitation scheme, the resolution of the interference patterns can be improved by using 3- and 4-pulse excitation schemes. The dissociating velocity can be steered by varying laser parameters.

scholarly journals Multifractality of quantum wave packets

2012 ◽  
Vol 86 (5) ◽  
Author(s):  
Ignacio García-Mata ◽  
John Martin ◽  
Olivier Giraud ◽  
Bertrand Georgeot
Keyword(s):  
Wave Packets ◽  
Quantum Wave
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