Density Functional Theory III

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 Partner

Dealing 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.