Collect. Czech. Chem. Commun. 1988, 53, 1890-1901

Bloch and Wannier functions in momentum space

Jean-Louis Calais

Quantum Chemistry Group, University of Upsala, Box 518, S-75120-Upsala, Sweden


Direct calculations of wave functions in momentum space require a study of the formal properties of such functions. Here we discuss the momentum space counterparts of Bloch and Wannier functions, both in general and for two extreme kinds of basis set expansions: plane waves and atomic orbitals.