A global characterization and similarity analysis of two-dimensional potential energy surfaces

1992 ◽  
Vol 41 (4) ◽  
pp. 557-579 ◽  
Author(s):  
Xincai Luo ◽  
Paul G. Mezey
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Similarity Analysis ◽  
Two Dimensional ◽  
Energy Surfaces

Beyond Born-Oppenheimer Based Diabatic Surfaces of 1,3,5-C6H3F3+ to Generate the Photoelectron Spectra Using Time-Dependent Discrete Variable Representation Approach

2021 ◽  
Author(s):  
Soumya Mukherjee ◽  
Satyam Ravi ◽  
Joy Dutta ◽  
Subhankar Sardar ◽  
Satrajit Adhikari
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Photoelectron Spectra ◽  
Time Dependent ◽  
Two Dimensional ◽  
Discrete Variable ◽  
Discrete Variable Representation ◽  
Energy Surfaces ◽  
Variable Representation

In this article, Beyond Born-Oppenheimer (BBO) treatment is implemented to construct diabatic potential energy surfaces (PESs) of 1,3,5-C6H3F3+ over a series [eighteen (18)] of two-dimensional (2D) nuclear planes constituted with...

Photodissociation of NH2: Two‐dimensional potential energy surfaces for the dissociation into NH and H

1996 ◽  
Vol 104 (14) ◽  
pp. 5558-5571 ◽  
Author(s):  
R. Vetter ◽  
L. Zülicke ◽  
A. Koch ◽  
E. F. van Dishoeck ◽  
S. D. Peyerimhoff
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Two Dimensional ◽  
Energy Surfaces
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