Real-Time Tunneling Dynamics through Adiabatic Potential Energy Surfaces Shaped by a Conical Intersection

2020 ◽  
Vol 11 (16) ◽  
pp. 6730-6736 ◽  
Author(s):  
Kyung Chul Woo ◽  
Sang Kyu Kim
Keyword(s):  
Potential Energy ◽  
Real Time ◽  
Potential Energy Surfaces ◽  
Adiabatic Potential ◽  
Conical Intersection ◽  
Tunneling Dynamics ◽  
Energy Surfaces

scholarly journals Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 2A′ states of LiFH

2019 ◽  
Vol 21 (26) ◽  
pp. 14205-14213 ◽  
Author(s):  
Yafu Guan ◽  
Dong H. Zhang ◽  
Hua Guo ◽  
David R. Yarkony
Keyword(s):  
Neural Network ◽  
Neural Networks ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Adiabatic Potential ◽  
General Algorithm ◽  
Energy Surfaces

A general algorithm for determining diabatic representations from adiabatic energies, energy gradients and derivative couplings using neural networks is introduced.

Adiabatic potential energy surfaces of the vinoxy radical

2005 ◽  
Author(s):  
K. Piechowska ◽  
M.-C. Bacchus-Montabonel ◽  
Y. S. Tergiman ◽  
J. E. Sienkiewicz
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Adiabatic Potential ◽  
Energy Surfaces

scholarly journals Insights into the Photodecomposition of Azidomethyl Methyl Sulfide: A S2/S1 Conical Intersection on Nitrene Potential Energy Surfaces Leading to the Formation of S-Methyl-N-sulfenylmethanimine

2020 ◽  
Vol 124 (10) ◽  
pp. 1911-1921 ◽  
Author(s):  
Manuel Algarra ◽  
Juan Soto ◽  
Luis Pinto da Silva ◽  
M. Soledad Pino-González ◽  
J. Enrique Rodríguez-Borges ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Conical Intersection ◽  
Methyl Sulfide ◽  
Energy Surfaces
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