LDA-SCM

At the microscopic level, referred to as the LDA-SCM, the method has been shown to be a nonselfconsistent approximation to the Kohn-Sham (KS)-LDA approach [50]. Apart from computational efficiency, an important physical insight provided by the LDA-SCM is that the total KS-LDA energy totai(A ) (or in another notation Eks( )) of a finite system of interacting delocalized electrons (or more generally of other fermions, like nucleons or - He atoms) can be divided into two contributions, i.e. 

The LDA-SCM approach, which has been shown to yield results in excellent agreement with self-consistent KS-LDA calculations [25, 26], is equivalent to a Harris functional [53] approximation ( Harris[p "], see below) to the KS-LDA total energy [50] ( Ks[PKs]) with the input density obtained through a variational minimization of an extended Thomas-Fermi (ETF) energy functional, etf[p1-The property of the nonselfconsistent Harris functional to yield total energies close to the KS-LDA ones is based on the following equality ... 

Figure 4.9 Solid dots LDA-SCM results for the dissociation energies for the most favorable fission channel for doubly charged cationic parents Na v when the spherical jellium is used. The influence of triaxial deformation effects (calculated with the SE-SCM approach) is shown by the thick dashed line...

The SCM derives its justification from the local-density-approximation (LDA) functional theory and has been developed as a two-level method. 

Figure 4.4 Monomer separation energies, Dj yv (see Eq. (42)), from singly cationic Nayv clusters in the range 5 < N < 39. Open squares Experimental measurements from Ref. [76]. Solid dots (bottom panel) theoretical results derived from the SE-SCM method in the case of triaxial deformations. Solid squares (top panel) theoretical results according to the KS-LDA spheroidal calculations of Ref. [77]...

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