Charge, Spin and Momentum Densities

CSMD

Chairman: Prof. Mark Spackman (Australia)

Chemistry, University of New England
Armidale, NSW 2351, Australia
Telephone: +61-2-6773 2722
Fax: +61-2-6773 3268
E-mail: mspackma@metz.une.edu.au


General Information

This Commission of the International Union of Crystallography focuses on experimental and theoretical work on charge spin and momentum densities. The aim is to combine experimental techniques, theory and computations to come to a coherent understanding of electronic charge, spin and momentum densities in atoms, molecules and condensed matter. The Commission usually meets at the

  • IUCr Congress and General Assembly,
  • Sagamore conference, and the
  • Gordon Research Conference on "Electron Distributions and Chemical Bonding"

which are held in consecutive years, and on a three-year cycle.

Commission members and consultants

Recent charge density publications

Forthcoming conferences and workshops

  • IXS2001
  • International Conference on Inelastic X-ray Scattering (Haikko, Finland, 22-26 August 2001)

Recently held conferences and workshops

Projects

Reports

Links to other relevant www-pages

Computer programs (Software)

  • XD Multipole Refinement Program (E-mail: Tibor Koritsanszky )
  • WIEN97 A full-potential linearized augmented plane wave (LAPW) package for calculating crystal properties
  • MEED A program package for electron density distribution calculation by the maximum entropy method (E-mail: Makoto Sakata )
  • CRYSTAL98 Electronic structure of periodic systems (Hartree-Fock and DFT)
  • GAMESS General ab initio quantum chemistry package


Last modifications: 25 September 2000 Mark Spackman