Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between 3B1 and 1A1 States of GeH2

2016 ◽  
Vol 120 (18) ◽  
pp. 2911-2919 ◽  
Author(s):  
Dmitry A. Fedorov ◽  
Spencer R. Pruitt ◽  
Kristopher Keipert ◽  
Mark S. Gordon ◽  
Sergey A. Varganov
Keyword(s):  
Ab Initio ◽  
Intersystem Crossing ◽  
Multiple Spawning ◽  
Forbidden Transitions

scholarly journals Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes

2016 ◽  
Vol 144 (10) ◽  
pp. 101102 ◽  
Author(s):  
Basile F. E. Curchod ◽  
Clemens Rauer ◽  
Philipp Marquetand ◽  
Leticia González ◽  
Todd J. Martínez
Keyword(s):  
Ab Initio ◽  
Internal Conversion ◽  
Intersystem Crossing ◽  
Multiple Spawning

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
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