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Density Functionals of Kinetic Energy

When the electronic density is seen as the diagonal element p(r ) = p(r, r,) the kinetic energy may be generally expressed from the Hartree-Fock model, through employing the single determinant p(r,r), as the quantity (Lee Parr, 1987)  [Pg.481]

For instance, in LDA approximation, the temperature at a point is assumed as a function of the density in that point, )3(r) = j8(p(r)) this may be easily reached out by employing the scaling transformation to be (Ou-Yang Levy, 1990) [Pg.481]

Quantum Nanochemistry-Volume I Quantum Theory and Observability [Pg.482]

Actually, the different LDA particular cases are derived by equating the total number of particle A with various realization of the integral [Pg.482]

The option in choosing the T(r,5) series (4.420) so that to converge in the sense of charge particle integral (4.419) fixes the possible cases to be considered (Lee Parr, 1987)  [Pg.482]


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