Correlated Wavefunction Quantum Monte-Carlo Approach to Solids

  • S. G. Louie
Conference paper
Part of the Springer Series in Solid-State Sciences book series (SSSOL, volume 114)


A method for calculating the electronic and structural properties of solids using correlated wavefunctions together with quantum Monte Carlo techniques is described. The approach retains the exact Coulomb interaction between the electrons and employs a many-electron wavefunction of the Jastrow-Slater form. Several examples are given to illustrate the utility of the method. Topics discussed include the cohesive properties of bulk semiconductors, the magnetic-field-induced Wigner crystal in two dimensions, and the magnetic structure of bcc hydrogen. Landau level mixing is shown to be important in determining the transition between the fractional quantum Hall liquid and the Wigner crystal. Information on electron correlations such as the pair correlation functions which are not accessible to one-electron theories is also obtained.


Cohesive Energy Landau Level Pair Correlation Function Charge Density Wave Electron Correlation Effect 
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Copyright information

© Springer-Verlag Berlin Heidelberg 1993

Authors and Affiliations

  • S. G. Louie
    • 1
    • 2
  1. 1.Department of PhysicsUniversity of California at BerkeleyBerkeleyUSA
  2. 2.Materials Sciences DivisionLawrence Berkeley LaboratoryBerkeleyUSA

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