Результаты поиска - wavefunction model

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

    Опубликовано 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....”
    Полный текст
    Online