NASA Technical Reports Server (NTRS) 19810024729: Quantum chemical calculation of the equilibrium structures of small metal atom clustersReport as inadecuate



 NASA Technical Reports Server (NTRS) 19810024729: Quantum chemical calculation of the equilibrium structures of small metal atom clusters


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The application of ab initio quantum mechanical approaches in the study of metal atom clusters requires simplifying techniques that do not compromise the reliability of the calculations. Various aspects of the implementation of the effective core potential (ECP) technique for the removal of the metal atom core electrons from the calculation were ex

Author: NASA Technical Reports Server (NTRS)

Source: https://archive.org/







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