Density Functional Theory III: Interpretation, Atoms, Molecules and Clusters

ISBN-13: 9783662148396 / Angielski / Miękka / 2013 / 182 str.

R. F. Nalewajski; J. a. Alonso; L. C. Balbas

Spis treści

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.