Ab Initio Vertical Ionization Potentials of trans-Butadiene and Cyclobutadiene Using the Effective Valence Shell Hamiltonian Method

1994 ◽  
Vol 98 (13) ◽  
pp. 3467-3471 ◽  
Author(s):  
Charles H. Martin ◽  
Richard L. Graham ◽  
Karl F. Freed
Keyword(s):  
Ab Initio ◽  
Ionization Potentials ◽  
Valence Shell ◽  
Hamiltonian Method ◽  
Vertical Ionization Potentials ◽  
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

SCF MO CI perturbation calculations of inner shell and valence shell vertical ionization potentials

1978 ◽  
Vol 48 (1) ◽  
pp. 47-57 ◽  
Author(s):  
Hans-Lothar Hase ◽  
G�nther Lauer ◽  
Karl-Wilhelm Schulte ◽  
Armin Schweig
Keyword(s):  
Ionization Potentials ◽  
Valence Shell ◽  
Vertical Ionization Potentials
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