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cond-mat.mtrl-sci2008
JuNoLo - Julich Non Local code for parallel calculation of vdW-DF nonlocal density functional theory
P. Lazic, N. Atodiresei, M. Alaei +3
Nowadays the state of the art Density Functional Theory (DFT) codes are based on local (LDA) or semilocal (GGA) energy functionals. Recently the theory of a truly nonlocal energy f…
cond-mat.mtrl-sci2008
The nonlocal correlation: A key to the solution of the CO adsorption puzzle
P. Lazic, M. Alaei, N. Atodiresei +3
We study the chemisorption of CO molecule into sites of different coordination on (111) surfaces of late 4d and 5d transition metals. In an attempt to solve the well-known CO adsor…
cond-mat.mtrl-sci2004
The Structure of Ultrathin Ag Films on Pd(111)
Predrag Lazic, Damir Sokcevic, Radovan Brako
We have performed ab initio density functional calculations of thin Ag films on the Pd(111) surface. We have calculated the structural properties and the electronic bands of the Ag…