scholarly journals Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems

2002 ◽  
Vol 116 (13) ◽  
pp. 5432-5439 ◽  
Author(s):  
Maho Nakata ◽  
Masahiro Ehara ◽  
Hiroshi Nakatsuji
Keyword(s):  
Potential Energy ◽  
Density Matrix ◽  
Potential Energy Surfaces ◽  
Strongly Correlated Systems ◽  
Strongly Correlated ◽  
Variational Theory ◽  
Correlated Systems ◽  
Theory Application ◽  
Energy Surfaces

scholarly journals Chemical verification of variational second-order density matrix based potential energy surfaces for the N2 isoelectronic series

2010 ◽  
Vol 132 (11) ◽  
pp. 114112 ◽  
Author(s):  
Helen van Aggelen ◽  
Brecht Verstichel ◽  
Patrick Bultinck ◽  
Dimitri Van Neck ◽  
Paul W. Ayers ◽  
...  
Keyword(s):  
Potential Energy ◽  
Density Matrix ◽  
Potential Energy Surfaces ◽  
Second Order ◽  
Isoelectronic Series ◽  
Energy Surfaces
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