A spectral scheme for Kohn–Sham density functional theory of clusters

Author:

Banerjee Amartya S.,Elliott Ryan S.,James Richard D.

Funder

NSF-PIRE

ONR

AFOSR

Publisher

Elsevier BV

Subject

Computer Science Applications,Physics and Astronomy (miscellaneous),Applied Mathematics,Computational Mathematics,Modelling and Simulation,Numerical Analysis

Reference131 articles.

1. Electronic Structure: Basic Theory and Practical Methods;Martin,2004

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3. Numerical methods for electronic structure calculations of materials;Saad;SIAM Rev.,2010

4. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set;Kresse;Phys. Rev. B,1996

5. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set;Kresse;Comput. Mater. Sci.,1996

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