Generalized Langevin theory for many‐body problems in chemical dynamics: General formulation and the equivalent harmonic chain representation

1979 ◽  
Vol 71 (11) ◽  
pp. 4471-4486 ◽  
Author(s):  
S. A. Adelman
Keyword(s):  
Chemical Dynamics ◽  
Many Body ◽  
Harmonic Chain

scholarly journals Analog quantum simulation of chemical dynamics

2021 ◽  
Author(s):  
Ryan J MacDonell ◽  
Claire Dickerson ◽  
Clare Birch ◽  
Alok Kumar ◽  
Claire Edmunds ◽  
...  
Keyword(s):  
Computational Complexity ◽  
Chemical Reactions ◽  
Molecular Size ◽  
Quantum Simulation ◽  
Chemical Dynamics ◽  
Many Body ◽  
Oppenheimer Approximation

Ultrafast chemical reactions are difficult to simulate because they involve entangled, many-body wavefunctions whose computational complexity grows rapidly with molecular size. In photochemistry, the breakdown of the Born-Oppenheimer approximation further...

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