scholarly journals Nonadiabatic Dynamics of Photoexcited cis-Stilbene Using Ab Initio Multiple Spawning

2020 ◽  
Vol 124 (26) ◽  
pp. 5476-5487 ◽  
Author(s):  
Hayley Weir ◽  
Monika Williams ◽  
Robert M. Parrish ◽  
Edward G. Hohenstein ◽  
Todd J. Martínez
Keyword(s):  
Ab Initio ◽  
Nonadiabatic Dynamics ◽  
Multiple Spawning

Putting Photomechanical Switches to Work: An Ab Initio Multiple Spawning Study of Donor–Acceptor Stenhouse Adducts

2020 ◽  
Vol 11 (18) ◽  
pp. 7901-7907 ◽  
Author(s):  
D. M. Sanchez ◽  
U. Raucci ◽  
K. N. Ferreras ◽  
Todd J. Martínez
Keyword(s):  
Ab Initio ◽  
Multiple Spawning ◽  
Donor Acceptor

Comparison of full multiple spawning, trajectory surface hopping, and converged quantum mechanics for electronically nonadiabatic dynamics

2001 ◽  
Vol 115 (3) ◽  
pp. 1172-1186 ◽  
Author(s):  
Michael D. Hack ◽  
Amanda M. Wensmann ◽  
Donald G. Truhlar ◽  
M. Ben-Nun ◽  
Todd J. Martı́nez
Keyword(s):  
Quantum Mechanics ◽  
Nonadiabatic Dynamics ◽  
Surface Hopping ◽  
Multiple Spawning
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