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Contracted Schrodinger equation application

The A-representability constraints presented in this chapter can also be applied to computational methods based on the variational optimization of the reduced density matrix subject to necessary conditions for A-representability. Because of their hierarchical structure, the (g, R) conditions are also directly applicable to computational approaches based on the contracted Schrodinger equation. For example, consider the (2, 4) contracted Schrodinger equation. Requiring that the reconstmcted 4-matrix in the (2, 4) contracted Schrodinger equation satisfies the (4, 4) conditions is sufficient to ensure that the 2-matrix satisfies the rather stringent (2, 4) conditions. Conversely, if the 2-matrix does not satisfy the (2, 4) conditions, then it is impossible to construct a 4-matrix that is consistent with this 2-matrix and also satisfies the (4, 4) conditions. It seems that the (g, R) conditions provide important constraints for maintaining consistency at different levels of the contracted Schrodinger equation hierarchy. [Pg.479]


See other pages where Contracted Schrodinger equation application is mentioned: [Pg.3]    [Pg.3]    [Pg.23]    [Pg.207]    [Pg.585]    [Pg.615]   
See also in sourсe #XX -- [ Pg.194 , Pg.195 , Pg.196 ]




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