scholarly journals Nonadiabatic Dynamics Simulation Predict Intersystem Crossing in Nitroaromatic Molecules on a Picosecond Time Scale

ChemPhotoChem ◽  
2019 ◽  
Vol 3 (9) ◽  
pp. 833-845 ◽  
Author(s):  
J. Patrick Zobel ◽  
Leticia González
Keyword(s):  
Time Scale ◽  
Dynamics Simulation ◽  
Intersystem Crossing ◽  
Nonadiabatic Dynamics ◽  
Picosecond Time Scale

Magnetic Field Dependence of Ultrafast Intersystem-Crossing:  A Triplet Mechanism on the Picosecond Time Scale?

1999 ◽  
Vol 121 (38) ◽  
pp. 8876-8881 ◽  
Author(s):  
Christian Musewald ◽  
Peter Gilch ◽  
Gerhard Hartwich ◽  
Florian Pöllinger-Dammer ◽  
Hugo Scheer ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Field Dependence ◽  
Time Scale ◽  
Magnetic Field Dependence ◽  
Intersystem Crossing ◽  
Triplet Mechanism ◽  
Picosecond Time Scale

Nonadiabatic Dynamics Simulation of Photoinduced Ring-Opening Reaction of 2(5H)-Thiophenone with Internal Conversion and Intersystem Crossing

2021 ◽  
Author(s):  
Bin-Bin Xie ◽  
Bo Long Liu ◽  
Xiu-Fang Tang ◽  
Diandong Tang ◽  
Lin Shen ◽  
...  
Keyword(s):  
Ring Opening ◽  
Internal Conversion ◽  
Mean Field ◽  
Dynamics Simulation ◽  
Quantum Trajectory ◽  
Intersystem Crossing ◽  
Nonadiabatic Dynamics ◽  
Field Approach ◽  
Ring Opening Reaction

In the present work, the quantum trajectory mean-field approach, which is able to overcome the overcoherence problem, was generalized to simulate internal conversion and intersystem crossing processes simultaneously. The photoinduced...

scholarly journals Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physics

2021 ◽  
Vol 154 (11) ◽  
pp. 110901
Author(s):  
Xuezhi Bian ◽  
Yanze Wu ◽  
Hung-Hsuan Teh ◽  
Zeyu Zhou ◽  
Hsing-Ta Chen ◽  
...  
Keyword(s):  
Electronic States ◽  
Intersystem Crossing ◽  
Chemical Physics ◽  
Nonadiabatic Dynamics

Nonadiabatic dynamics simulation of keto isocytosine: a comparison of dynamical performance of different electronic-structure methods

2017 ◽  
Vol 19 (29) ◽  
pp. 19168-19177 ◽  
Author(s):  
Deping Hu ◽  
Yan Fang Liu ◽  
Andrzej L. Sobolewski ◽  
Zhenggang Lan
Keyword(s):  
Electronic Structure ◽  
Dynamics Simulation ◽  
Nonadiabatic Dynamics ◽  
Electronic Structure Methods ◽  
Reaction Channels ◽  
Dynamics Simulations

Different reaction channels are obtained in the nonadiabatic dynamics simulations of isocytosine at CASSCF and ADC(2) levels.

Correlation of hot-phonon and hot-carrier kinetics in Ge on a picosecond time scale

1991 ◽  
Vol 43 (8) ◽  
pp. 6682-6690 ◽  
Author(s):  
Andreas Othonos ◽  
H. M. van Driel ◽  
Jeff F. Young ◽  
Paul J. Kelly
Keyword(s):  
Time Scale ◽  
Hot Carrier ◽  
Picosecond Time Scale

scholarly journals A local view of the laser induced magnetic domain dynamics in CoPd stripe domains at the picosecond time scale

2020 ◽  
Vol 32 (46) ◽  
pp. 465801
Author(s):  
V López-Flores ◽  
M-A Mawass ◽  
J Herrero-Albillos ◽  
A A Uenal ◽  
S Valencia ◽  
...  
Keyword(s):  
Time Scale ◽  
Magnetic Domain ◽  
Local View ◽  
Picosecond Time Scale ◽  
Domain Dynamics
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