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Hermitian-Lagrange multipliers

Associate the Lagrange multiplier ji (chemical potential) with the normalization condition in Eq. (6), the set of Hermitian-Lagrange multipliers X[ with orthonormality constraints in Eq. (4), and define the auxiliary functional Q, by the formula... [Pg.401]

From (3.40), 8 is a Hermitian matrix. It is always possible, therefore, to find a unitary matrix U such that the transformation (3.67) diagonalizes 8. We are not concerned with how to obtain such a matrix, only that such a matrix exists and is unique. There must exist, then, a set of spin orbitals for which the matrix of Lagrange multipliers is diagonal. [Pg.122]

The matrix of the Lagrange multipliers e is hermitian, therefore there exists a unitary transformation U that diagonalizes e. Applying this unitary transformation to the set of MOs j> ... [Pg.25]

If we interchange v and u in the above derivation and require that the matrix of Lagrange multipliers be Hermitian, we get the equation... [Pg.403]

It is also easily established (Problem 12.10) that the matrix of Lagrange multipliers is Hermitian, and (12.6.7) is thus exactly like the usual stationary-state HF equation (6.1.18) except for the presence of the time derivative. [Pg.439]


See other pages where Hermitian-Lagrange multipliers is mentioned: [Pg.63]    [Pg.151]    [Pg.39]    [Pg.63]    [Pg.22]    [Pg.118]    [Pg.261]   
See also in sourсe #XX -- [ Pg.401 ]




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