SIG-02 Inauguration Document

SIG #2

Special Interest Group
on Charge, Spin and Momentum density
of the European Crystallographic Association

The special interest group brings together experimentalists, computationalists and theoreticians studying all aspects of electronic charge, spin and momentum distributions in atoms, molecules and condensed matter. Its main objectives are to further the activities of the scientistst in their respective fields, to integrate concepts from the many experimental methodologies, from theory and computation, into a coherent understanding of spin, charge and momentum densities and to promote the application of this understanding in the whole of physics, chemistry and biology.

The SIG intends to cooperate closely with the IUCr-commission in the same field

At present the following topics play an important role in the field of activity of the intended Special Interest Group on charge, spin and momentum density

crystallographic studies: interaction density including hydrogen bonds, topological analysis of the charge density, total electrostatic potential

  • Analysis of diffraction data by multipole refinement and maximum entropy methods.
  • Theory and computation of electron densities in large systems, of molecules in the excited state.
  • Compton scattering, magnetic scattering.
  • electron momentum spectroscopy of amorphous materials, polycrystalline and crystalline membranes and molecules.
  • Neutron and magnetic x-ray scattering.
  • gamma, e-gamma spectroscopy.
  • Theory and computation of electronic states in molecules and condensed matter
  • Positron annihilation: heavy fermions, magnetism 2D-ACAR, electronic structure at interfaces, electron-positron correlations.

The field has gone through an important revival by the arrival of synchrotron radiation and the development of new detection techniques. Development of these new techniques is considered to be an important aspect by the SIG

FOUNDING MEMBERS

Alvarez, Angel Spain
Destro, Riccardo Italy
Espinosa, quique Spain
Gatti, Carlo Italy
Ghermani, Nour Eddine France
Graafsma, Heinz France
Howard, Judith United Kingdom
Larsen, Sine Denmark
Lecomte, Claude France
Lenstra, Albert. Belgium
Loupias, Genevieve France
Luger, Peter Germany
Mata, Ignasi Spain
Piniella, Joan F. Spain
Schwarz, Karlheinz Austria
Tsirelson Russia

The SIG will work in close contact with the Commission on Charge , Spin and Momentum Density of the International Union.

The preliminary board of the SIG consists of

Dirk Feil chairman a.i.

Judith Howard secretary a.i.

The first meeting of the SIG will be at the Prague conference of the ECA, while a new board will be elected at the Gordon conference on Charge Density at the Oxford University in September.

 The permanent board will consist of three members, elected for a period of three years