Natural Orbital Functional for the Many-Electron Problem

  title={Natural Orbital Functional for the Many-Electron Problem},
  author={Stefan Goedecker and C. J. Umrigar},
  journal={Physical Review Letters},
The solution of the quantum mechanical many-electron problem is one of the central problems of physics. A great number of schemes that approximate the intractable many-electron Schrodinger equation have been devised to attack this problem. Most of them map the manybody problem to a self-consistent one-particle problem. Probably the most popular method at present is density functional theory (DFT) [1] especially when employed with the generalized gradient approximation (GGA) [2,3] for the… 

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