On the Problem of Multiple Minima on the S2 Excited Potential Energy Surface of Benzene: A Restricted Active Space Self Consistent Field Study

2020 ◽  
Vol 5 (9) ◽  
pp. 2810-2815
Author(s):  
Panayiotis C. Varras ◽  
Panagiotis S. Gritzapis ◽  
Michael G. Siskos
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Field Study ◽  
Energy Surface ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Multiple Minima

A complete active space self-consistent field study of the photochemistry of nitrosamine

2006 ◽  
Vol 125 (16) ◽  
pp. 164311 ◽  
Author(s):  
Daniel Peláez ◽  
Juan F. Arenas ◽  
Juan C. Otero ◽  
Juan Soto
Keyword(s):  
Field Study ◽  
Complete Active Space ◽  
Active Space ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
Sign in / Sign up

Export Citation Format

Share Document