265 citations · 506 across the 4 of their papers we have counts for
4 papers
Questioning the existence of a unique ground state structure for Si clusters
W. Hellmann, R. Hennig, S. Goedecker +3
Density functional and quantum Monte Carlo calculations challenge the existence of a unique ground state structure for certain Si clusters. For Si clusters with more than a dozen a…
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…
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…
A critical assessment of the Self-Interaction Corrected Local Density Functional method and its algorithmic implementation
S. Goedecker, C. J. Umrigar
We calculate the electronic structure of several atoms and small molecules by direct minimization of the Self-Interaction Corrected Local Density Approximation (SIC-LDA) functional…