Ab initio study of the trans‐butadiene π‐valence states using the effective valence shell Hamiltonian method

1992 ◽  
Vol 96 (2) ◽  
pp. 1304-1316 ◽  
Author(s):  
Richard L. Graham ◽  
Karl F. Freed
Keyword(s):  
Ab Initio ◽  
Valence Shell ◽  
Ab Initio Study ◽  
Hamiltonian Method ◽  
Valence States ◽  
Effective Valence

Ab initio effective valence shell Hamiltonian for the neutral and ionic valence states of N, O, F, Si, P, and S

1980 ◽  
Vol 72 (7) ◽  
pp. 4158-4173 ◽  
Author(s):  
Hosung Sun ◽  
Karl F. Freed ◽  
Michael F. Herman ◽  
Danny L. Yeager
Keyword(s):  
Ab Initio ◽  
Valence Shell ◽  
Valence States ◽  
Ionic Valence ◽  
Effective Valence

Excited potential energy surfaces of CH3SH from the ab initio effective valence shell Hamiltonian method

1994 ◽  
Vol 101 (6) ◽  
pp. 4832-4841 ◽  
Author(s):  
Jonathan E. Stevens ◽  
Karl F. Freed ◽  
Michael F. Arendt ◽  
Richard L. Graham
Keyword(s):  
Potential Energy ◽  
Ab Initio ◽  
Potential Energy Surfaces ◽  
Valence Shell ◽  
Hamiltonian Method ◽  
Effective Valence ◽  
Energy Surfaces
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