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Density functional theory deMon codes

Chapter 38 - Applied density functional theory and the deMon codes 1964-2004, Pages 1079-1097, D.R. Salahub, A. Goursot, J. Weber, A.M. Kdster and A. Vela... [Pg.1]

Applied density functional theory and the deMon codes 1964-2004... [Pg.1079]

Advances in density functional theory and its applications over the past four decades are reviewed from the perspective of developers of the methodology and codes embodied in the deMon software. [Pg.1079]

Andreas M. Koster was born in Steinhude, Germany, in 1964. He earned his Ph.D. degree in theoretical chemistry with Professor Karl Jug at the Universtat Hannover in 1992 with a work about chemical reactivity. A short research stay after the Ph.D. with Professor Roman Nalewajski in Krakow, Poland, introduced him to density functional theory. At the beginning of 1993 he started his postdoctoral research with Dennis Salahub in Montreal. Since then he has been involved in the technical implementation and development of the density functional code deMon. In 1995, he returned to Germany to start a Habilita-tion, and built a new density functional method with auxiliary functions. In 1999, he moved to CINVESTAV in Mexico to take up a titular Professor position in Theoretical Chemistry. [Pg.1242]

Salahub DR. Goursot A. Weber J. Koster AM. Vela A Applied density functional theory and the deMon codes 1964-2004. In Theory and Applications of Computational Chemistry The First Forty Years Editors, Dykstra C. Frenking G. Kim K. et al ). Elsevier B.V., Amsterdam. Netherlands 2005 1079-1097. [Pg.130]


See other pages where Density functional theory deMon codes is mentioned: [Pg.115]    [Pg.224]    [Pg.99]    [Pg.209]    [Pg.237]    [Pg.104]    [Pg.681]    [Pg.609]   


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