Publications

Author:
Year:

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"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

"Ab initio approach for electro-chemical application."
Lozovoi,A.Y. and Alavi,A. and Lynden-Bell,R.M., August 2000

"Reply to: "The puzzling stability of monatomic gold wires is the "
Torres,J.A. and Tosatti,E. and Dal Corso,A. and Ercolessi,F. and Kohanoff,J.J. and Di Tolla,F.D. and Soler J.M., 2000

"The puzzling stability of monotaomic gold wires"
Torres,J.A. and Tosatti,E. and Dal Corso,A. and Ercolessi,F. and Kohanoff,J. and di Tolla,F.D. and Soler,J.M. and, 1999

"Simple Molecular Systems at Very High Pressures: computer simulation studies"
Chiarotti,G.L. and Ancilotto,F. and Bernasconi,M. and Bernard,S. and Cavazzoni,C. and Focher,P. and Kohanoff,J. and Parrinello,M. and Scandolo,S. and Serra,S. and Tosatti,E. and, 1998

"Solid Molecular Phases of Hydrogen via Constant-pressure First-principles Molecular Dynamics"
Kohanoff,J. and Scandolo,S. and, 1998

"Molecular dynamics simulation of the a-Al2O3 lattice: dynamic properties"
Rambaut,C. and Jobic,H. and Jaffrezic,H. and Kohanoff,J. and Fayeulle,S. and, 1998

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