Self‐consistent molecular orbital methods. XVI. Numerically stable direct energy minimization procedures for solution of Hartree–Fock equations

1976 ◽  
Vol 65 (1) ◽  
pp. 265-271 ◽  
Author(s):  
Rolf Seeger ◽  
John A. Pople
Keyword(s):  
Molecular Orbital ◽  
Energy Minimization ◽  
Hartree Fock ◽  
Direct Energy Minimization ◽  
Self Consistent ◽  
Direct Energy

Direct energy minimization of excited singlet states

1981 ◽  
Vol 75 (12) ◽  
pp. 5759-5763 ◽  
Author(s):  
Luc Bouscasse ◽  
Danielle Bouin‐Roubaud ◽  
Thierry Avignon ◽  
H. H. Jaffé
Keyword(s):  
Energy Minimization ◽  
Excited Singlet ◽  
Singlet States ◽  
Direct Energy Minimization ◽  
Direct Energy ◽  
Excited Singlet States
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