Direct minimization of the energy functional in LCAO-MO density matrix formalism I. Closed and open shell systems

1975 ◽  
Vol 38 (3) ◽  
pp. 211-221 ◽  
Author(s):  
Stefano Polezzo
Keyword(s):  
Density Matrix ◽  
Open Shell ◽  
Energy Functional ◽  
Matrix Formalism ◽  
Density Matrix Formalism ◽  
Direct Minimization ◽  
Lcao Mo

Direct minimization of the energy functional in LCAO-MO density matrix formalism

1976 ◽  
Vol 41 (4) ◽  
pp. 311-319 ◽  
Author(s):  
Piercarlo Fantucci ◽  
Stefano Polezzo ◽  
Maria Paola Stabilini
Keyword(s):  
Density Matrix ◽  
Energy Functional ◽  
Matrix Formalism ◽  
Density Matrix Formalism ◽  
Direct Minimization ◽  
Lcao Mo
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