Multidimensional tunneling dynamics on HSiOH cis-trans isomerization with interpolated potential energy surface

1999 ◽  
Vol 111 (8) ◽  
pp. 3410-3419 ◽  
Author(s):  
Tetsuya Taketsugu ◽  
Naomitsu Watanabe ◽  
Kimihiko Hirao
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Trans Isomerization ◽  
Tunneling Dynamics ◽  
Multidimensional Tunneling

scholarly journals Full-dimensional potential energy surface for acetylacetone and tunneling splittings

2021 ◽  
Author(s):  
Chen Qu ◽  
Riccardo Conte ◽  
Paul L. Houston ◽  
Joel M. Bowman
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Stationary Points ◽  
Tunneling Splittings ◽  
Tunneling Dynamics

New, full-dimensional potential energy surface for acetylacetone allows for description of H-tunneling dynamics and characterization of stationary points.

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