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Ab-Initio Approaches to the Quantum-Mechanical Treatment of periodic Systems

  • Cesare Pisani
Part of the Lecture Notes in Chemistry book series (LNC, volume 67)

Summary

A general overview is proposed of the different strategies that are currently adopted for the ab initio study of the electronic structure of periodic systems.

Key words

Electron gas Hartree-Fock (HF) Electron Correlation Relativistic Effects Density-Functional Theory (DFT) Kohn-Sham (KS) Local Density Approximation (LDA) Gradient Corrections (GC) Self-Interaction Correction (SIC) Pseudopotentials (PP) Plane Waves (PW) Gaussian Type Orbitals (GTO) Lattice Sums Self-Consistent-Field (SCF) Size-consistency Car-Parrinello (CP) Montecarlo KKR Recursion Method N-scaling 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1996

Authors and Affiliations

  • Cesare Pisani
    • 1
  1. 1.Department of Inorganic, Physical and Materials ChemistryUniversity of TorinoTorinoItaly

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