Generalized Langevin theory for many‐body problems in chemical dynamics: The equivalent chain equations for solute motion in molecular solvents

1986 ◽  
Vol 84 (3) ◽  
pp. 1752-1761 ◽  
Author(s):  
Steven A. Adelman ◽  
Michael W. Balk
Keyword(s):  
Chemical Dynamics ◽  
Many Body ◽  
Molecular Solvents

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...

Sign in / Sign up

Export Citation Format

Share Document