scholarly journals Born–Oppenheimer and Renner–Teller coupled-channel quantum reaction dynamics of O(3P) + H2+(X2Σg+) collisions

2015 ◽  
Vol 17 (36) ◽  
pp. 23392-23402 ◽  
Author(s):  
Pablo Gamallo ◽  
Paolo Defazio ◽  
Miguel González ◽  
Miguel Paniagua ◽  
Carlo Petrongolo
Keyword(s):  
Quantum Dynamics ◽  
Reaction Dynamics ◽  
Time Dependent ◽  
Quantum Reaction ◽  
Coupled Channel

We present Born–Oppenheimer (BO) and Renner–Teller (RT) time dependent quantum dynamics studies of the reactions O(3P) + H2+(X2Σg+) → OH+(X3Σ−) + H(2S) and OH(X2Π) + H+.

Time-dependent quantum dynamics study of the F + C2H6 → HF + C2H5 reaction

2021 ◽  
Author(s):  
Delu Gao ◽  
Dunyou Wang
Keyword(s):  
Energy Efficiency ◽  
Wave Packet ◽  
Cross Sections ◽  
Ground State ◽  
Rate Constants ◽  
Quantum Dynamics ◽  
Reaction Dynamics ◽  
Time Dependent ◽  
Quantum Reaction

The reaction probabilities, integral cross sections, energy efficiency and rate constants are investigated for the F + C2H6 reaction with a quantum reaction dynamics, wave-packet method. The ground-state integer cross...

Quantum calculations of the photoelectron spectra of the OH−·NH3 anion: implications for OH + NH3 → H2O + NH2 reaction dynamics

2021 ◽  
Vol 23 (11) ◽  
pp. 6950-6958
Author(s):  
Kohei Saito ◽  
Yutaro Sugiura ◽  
Takaaki Miyazaki ◽  
Yukinobu Takahashi ◽  
Toshiyuki Takayanagi
Keyword(s):  
Quantum Dynamics ◽  
Photoelectron Spectrum ◽  
Reaction Dynamics ◽  
Photoelectron Spectra ◽  
Quantum Calculations ◽  
Anion Complex

Quantum dynamics calculations were performed to analyze the experimentally measured photoelectron spectrum of the OH−·NH3 anion complex.

scholarly journals Chaos in time-dependent variational approximations to quantum dynamics

1998 ◽  
Vol 57 (2) ◽  
pp. 1489-1498 ◽  
Author(s):  
Fred Cooper ◽  
John Dawson ◽  
Salman Habib ◽  
Robert D. Ryne
Keyword(s):  
Quantum Dynamics ◽  
Time Dependent ◽  
Variational Approximations

On theJ-Shift Approximation in Quantum Reaction Dynamics

1999 ◽  
Vol 103 (34) ◽  
pp. 6715-6720 ◽  
Author(s):  
Katsuyuki Nobusada ◽  
Hiroki Nakamura
Keyword(s):  
Reaction Dynamics ◽  
Quantum Reaction
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