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Documents Lecture Krash 1

March 4, 2012 Semiempirical methods 1 CSC Spring School in Computational Chemistry CSC Spring School in Computational Chemistry Semi Semi- -empirical and tight empirical…

Documents Bond-Order Potential for MD Simulation: Relaxation of Semiconductor Nanostructures

Bond-Order Potential for MD Simulation: Relaxation of Semiconductor Nanostructures tight binding and bond order 4th moment approximation parameterization and fit some examples…