scholarly journals Photodesorption of water from rutile(110): ab initio calculation of five-dimensional potential energy surfaces of ground and excited electronic states and wave packet studies

2015 ◽  
Vol 17 (1) ◽  
pp. 268-275 ◽  
Author(s):  
Jan Mitschker ◽  
Thorsten Klüner
Keyword(s):  
Potential Energy ◽  
Wave Packet ◽  
Ab Initio ◽  
Excited States ◽  
Ab Initio Calculation ◽  
Potential Energy Surfaces ◽  
Electronic States ◽  
Excited Electronic States ◽  
Quantum Dynamical ◽  
Energy Surfaces

Based on five-dimensional potential energy surfaces for ground and excited states, quantum dynamical studies on the water–rutile system are performed.

Spectroscopic investigations and potential energy surfaces of the ground and excited electronic states of 1,3-benzodioxan

2009 ◽  
Vol 131 (4) ◽  
pp. 044302 ◽  
Author(s):  
Kathleen McCann ◽  
Martin Wagner ◽  
Aaron Guerra ◽  
Paul Coronado ◽  
J. R. Villarreal ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Electronic States ◽  
Excited Electronic States ◽  
Spectroscopic Investigations ◽  
Energy Surfaces
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