Pair Densities, Particle Number Fluctuations, and a Generalized Density Functional Theory

  • P. Ziesche


In the theory of atoms, molecules, clusters, and solids the quantum-mechanical many-electron problem is treated with a variety of well-studied and well-tried methods. Methods applicable to finite as well as extended systems are-the wave-function based Hartree-Fock (HF) method with its exchange (X) hole for electrons with parallel spins (and - following from this - its non-local X-potential), but with its complete neglect of the correlation (C) hole for electrons with antiparallel spins,-the density-based density-functional theory (DFT)2 with its local density approximation (LDA) and generalized gradient approximation (GGA)3 of the local XC potential or with its recent optimized effective potential (OEP) method version’, where the XCenergy depends implicitly on the density via orbitals,- the Green function based quasi-particle theory (QPT) with its GW approximation for the non-local and energy dependent self-energy operator,- the wave function based quantum Monte Carlo (QMC) method.


Particle Number Quantum Monte Carlo Pair Density Static Structure Factor Cumulant Expansion 
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Copyright information

© Springer Science+Business Media New York 1999

Authors and Affiliations

  • P. Ziesche
    • 1
  1. 1.Max Planck Institute for the Physics of Complex SystemsDresdenGermany

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