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Kohn-Sham potential linear-scaling methods

Linear-Scaling Methods for the Kohn-Sham Potential and for Numerical Integration... [Pg.108]

Often, the bottleneck in linear-scaling density-functional theory is the evaluation of the Coulomb potential the trade olf between the simple and direct method of integrating Eq. (94) and the more sophisticated linear-scaling approaches is evidenced by the fact that, for moderately large systems, linear-scaling density-functional techniques are often less efficient than direct solution to the Kohn-Sham system. As the size of the system increases beyond 10 to 20 A, however, linear-scaling techniques become essential. [Pg.109]


See other pages where Kohn-Sham potential linear-scaling methods is mentioned: [Pg.141]    [Pg.109]    [Pg.109]    [Pg.131]    [Pg.93]    [Pg.115]    [Pg.123]   
See also in sourсe #XX -- [ Pg.108 , Pg.109 ]




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Kohn-Sham method linear-scaling methods

Kohn-Sham potentials

Linear methods

Linear scaling

Linearized methods

Potential linearization

Scale method

Scaling methods

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