Density Functional Theory III
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Quantum-mechanical interpretation of density functional theory.- Application of density functional theory to the calculation of force fields and vibrational frequencies of transition metal complexes.- Structure and spectroscopy of small atomic clusters.- Density functional theory of clusters of nontransition metals using simple models.
Beschrijving
(2)
Bol
Quantum-mechanical interpretation of density functional theory.- Application of density functional theory to the calculation of force fields and vibrational frequencies of transition metal complexes.- Structure and spectroscopy of small atomic clusters.- Density functional theory of clusters of nontransition metals using simple models.
Bol PartnerDealing with density functional theory, this work covers topics such as quantum-mechanical interpretation of density functional theory, and application of density functional theory to the calculation of force fields and vibrational frequencies of transition metal complexes.
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