In Pursuit of the "Divine" Functional

Author:

Mattsson Ann E.1

Affiliation:

1. The author is at Sandia National Laboratories, Albuquerque, NM 87185, USA.

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

Reference18 articles.

1. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

2. Inhomogeneous Electron Gas

3. Workshop on Quantum Mechanical Techniques: Exchange Correlation Functionals in Density Functional Theory Albuquerque NM 14–16 August 2002. See www.cs.sandia.gov/dft/index.htm. The workshop was sponsored by the Computer Science Research Institute and the Physical and Chemical Sciences Center at Sandia National Laboratories.

4. Self-Consistent Equations Including Exchange and Correlation Effects

5. The term exchange-correlation stems from work on the SE in terms of Feynman diagrams and does not have any fundamental meaning in DFT. The exact exchange referred to in this article is for example not the Hartree-Fock exchange used in the context of the SE.

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