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physics.comp-ph1998★ 265 cited
A natural orbital functional for the many-electron problem
S. Goedecker, C. Umrigar
The exchange-correlation energy in Kohn-Sham density functional theory is expressed as a functional of the electronic density and the Kohn-Sham orbitals. An alternative to Kohn-Sha…
physics.comp-ph1997★ 67 cited
Linear Scaling Solution of the Coulomb problem using wavelets
S. Goedecker, O. V. Ivanov
The Coulomb problem for continuous charge distributions is a central problem in physics. Powerful methods, that scale linearly with system size and that allow us to use different r…