Simulation Studies of Proton Transfer in N2H7+Cluster by Classical ab Initio Monte Carlo and Quantum Wave Packet Dynamics

2001 ◽  
Vol 105 (31) ◽  
pp. 7423-7428 ◽  
Author(s):  
Toshio Asada ◽  
Haruya Haraguchi ◽  
Kazuo Kitaura
Keyword(s):  
Monte Carlo ◽  
Wave Packet ◽  
Proton Transfer ◽  
Ab Initio ◽  
Simulation Studies ◽  
Wave Packet Dynamics ◽  
Quantum Wave

STATE-TO-STATE QUANTUM WAVE PACKET DYNAMICS OF THE LiH + H REACTION ON TWO AB INITIO POTENTIAL ENERGY SURFACES

2014 ◽  
Vol 784 (1) ◽  
pp. 55 ◽  
Author(s):  
S. Gómez-Carrasco ◽  
L. González-Sánchez ◽  
N. Bulut ◽  
O. Roncero ◽  
L. Bañares ◽  
...  
Keyword(s):  
Potential Energy ◽  
Wave Packet ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Wave Packet Dynamics ◽  
Quantum Wave ◽  
Energy Surfaces

scholarly journals Quantum wave packet dynamics of the 1 3A″ N(4S)+NO(X̃ 2Π)→N2(X̃ 1Σg+)+O(3P) reaction

2003 ◽  
Vol 119 (14) ◽  
pp. 7156-7162 ◽  
Author(s):  
Pablo Gamallo ◽  
Miguel González ◽  
R. Sayós ◽  
Carlo Petrongolo
Keyword(s):  
Wave Packet ◽  
Wave Packet Dynamics ◽  
Quantum Wave
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