Ngā hua rapu - wavefunction models

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  1. On the diverse bonding situations in nanostructures : an ab initio computational study Pankewitz, Tobias

    I whakaputaina 2021
    “…The results of efficient density functional calculations are compared to those of correlated wavefunction calculations on model systems. This rigorous validation is crucial in evaluating the balance between computational cost and accuracy.…”
    Whiwhi kuputuhi katoa
    Online