Modification of optimal complete active space choices for the multiconfigurational spin-tensor electron propagator method for ionization potentials

2006 ◽  
Vol 107 (3) ◽  
pp. 694-702 ◽  
Author(s):  
Rajiv Saha ◽  
Dongxia Ma ◽  
Danny L. Yeager
Keyword(s):  
Ionization Potentials ◽  
Spin Tensor ◽  
Complete Active Space ◽  
Active Space ◽  
Electron Propagator ◽  
Propagator Method

Complete basis set limit ionization potentials of O3 and NO2 using the multiconfigurational spin tensor electron propagator method (MCSTEP)

1998 ◽  
Vol 238 (1) ◽  
pp. 1-9 ◽  
Author(s):  
Alexander J. McKellar ◽  
Dodi Heryadi ◽  
Danny L. Yeager ◽  
Jeffrey A. Nichols
Keyword(s):  
Ionization Potentials ◽  
Basis Set ◽  
Spin Tensor ◽  
Electron Propagator ◽  
Complete Basis ◽  
Propagator Method ◽  
Complete Basis Set ◽  
Complete Basis Set Limit

The ionization potentials of NH2: The multiconfigurational spin‐tensor electron propagator method (MCSTEP) applied to a polyatomic open‐shell radical

1988 ◽  
Vol 88 (4) ◽  
pp. 2572-2581 ◽  
Author(s):  
Richard L. Graham ◽  
Joseph T. Golab ◽  
Danny L. Yeager
Keyword(s):  
Open Shell ◽  
Ionization Potentials ◽  
Spin Tensor ◽  
Electron Propagator ◽  
Propagator Method
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