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Contracted Schrodinger equation algorithms

Iterative Solution of the Contracted Schrodinger Equation The Reduced Density Matrices Construction Algorithms A. The 2-RDM Construction Algorithm... [Pg.121]

The Contracted Schrodinger Equation is studied here in a spin-orbital representation coupled with the S2 eigenvalue equation as an auxiliary condition. A set of new algorithms for approximating RDM s in terms of the lower order ones are reported here. These new features improve significantly the method. [Pg.33]

See other pages where Contracted Schrodinger equation algorithms is mentioned: [Pg.12]    [Pg.122]    [Pg.153]    [Pg.388]    [Pg.585]    [Pg.134]    [Pg.188]   
See also in sourсe #XX -- [ Pg.134 , Pg.150 ]



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Contracted Schrodinger

Equator contraction

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