scholarly journals Neural network based quasi-diabatic Hamiltonians with symmetry adaptation and a correct description of conical intersections

2019 ◽  
Vol 150 (21) ◽  
pp. 214101 ◽  
Author(s):  
Yafu Guan ◽  
Hua Guo ◽  
David R. Yarkony
2020 ◽  
Vol 11 (18) ◽  
pp. 7552-7558 ◽  
Author(s):  
Yingyue Hong ◽  
Zhengxi Yin ◽  
Yafu Guan ◽  
Zhaojun Zhang ◽  
Bina Fu ◽  
...  

2019 ◽  
Vol 21 (36) ◽  
pp. 20372-20383 ◽  
Author(s):  
Zhengxi Yin ◽  
Yafu Guan ◽  
Bina Fu ◽  
Dong H. Zhang

A neural network-fitting procedure based on nonadiabatic couplings is proposed to generate two-state diabatic PESs with conical intersections.


2000 ◽  
Vol 25 (4) ◽  
pp. 325-325
Author(s):  
J.L.N. Roodenburg ◽  
H.J. Van Staveren ◽  
N.L.P. Van Veen ◽  
O.C. Speelman ◽  
J.M. Nauta ◽  
...  

2004 ◽  
Vol 171 (4S) ◽  
pp. 502-503
Author(s):  
Mohamed A. Gomha ◽  
Khaled Z. Sheir ◽  
Saeed Showky ◽  
Khaled Madbouly ◽  
Emad Elsobky ◽  
...  

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