Chemical Bonding, Reciprocal Form Factors, and Wannier Functions

  • Jean-Louis Calais


Compton profile measurements of increasing accuracy have stimulated the interest in wave functions and densities in momentum space. The Fourier transform of the momentum density can be interpreted as a sum of autocorrelation functions in position space. This quantity — the reciprocal form factor — contains important information about the geometry and the chemical bonding in the system.


Autocorrelation Function Brillouin Zone Momentum Space Compton Scattering Position Space 
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Copyright information

© Springer Science+Business Media New York 1981

Authors and Affiliations

  • Jean-Louis Calais
    • 1
  1. 1.Quantum Chemistry GroupUniversity of UppsalaUppsalaSweden

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