Multireference configuration interaction calculations for the F(P2)+HCl→HF+Cl(P2) reaction: A correlation scaled ground state (1A′2) potential energy surface

2006 ◽  
Vol 124 (22) ◽  
pp. 224303 ◽  
Author(s):  
Michael P. Deskevich ◽  
Michael Y. Hayes ◽  
Kaito Takahashi ◽  
Rex T. Skodje ◽  
David J. Nesbitt
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Configuration Interaction ◽  
Ground State ◽  
Energy Surface ◽  
Configuration Interaction Calculations

Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl

2009 ◽  
Vol 130 (17) ◽  
pp. 174301 ◽  
Author(s):  
Amit R. Sharma ◽  
Bastiaan J. Braams ◽  
Stuart Carter ◽  
Benjamin C. Shepler ◽  
Joel M. Bowman
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Configuration Interaction ◽  
Energy Surface ◽  
Configuration Interaction Calculations
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