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Optimisation Of Basis Sets And Pseudopotentials
Found 1 free book(s)Optimisation of Basis Sets and Pseudopotentials
www.cp2k.orgOptimisation of Basis Sets and Pseudopotentials. Electronic structure methods in CP2K GPW: Gaussian and plane waves method-Goedecker-Teter-Hutter pseudopotentials -Gaussian basis sets for valence electrons GAPW: Gaussian and augmented plane waves method-all electron calculations 2. LCAO 3