Publications

Author:
Year:

"Shape corrections to exchange-correlation potentials by gradient-regulated seamless connection of model potentials for inner and outer region"
Gruening,M. and Gritsenko,O,V. and van Gisbergen,S. and Baerends,J., 2001

"Density Functional Study of the Photoactive Yellow Protein’s Chromophore"
Sergi,A. and Gruening,M. and Ferrario,M. and Buda,F. and, 2001

"Soliton diffusion on the classical, isotropic Heisenberg chain"
Meister,M. and Mertens,F.G. and Sanchez,A., April 2001

"Linear Scaling DFT Calculations with Numerical Atomic Orbitals"
Ordejon,P. and Artacho,E. and Cachau,R. and Gale,J. and Garcia,A. and Junquera,J. and Kohanoff,J. and Machado,M. and Sanchez-Portal,D. and Soler,J.M. and Weht,R. and, 2001