most citedDensity-Functional-Based Determination of Vibrational Polarizabilities in Molecules

1 citations · 1 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.other2004

Evolution of Electronic and Vibrational Polarity of NaF Nanocrystals from Diatomic to Bulk: A Density Functional Study

Christian Schmidt, Philip B. Allen, Tunna Baruah +1

Density functional theory (DFT) is used to study vibrations, electrical dipole moments, and polarizabilities of NaF clusters. Because of prior experimental and theoretical studies,…

cond-mat.other2004★ 1 cited

Density-Functional-Based Determination of Vibrational Polarizabilities in Molecules

Mark R. Pederson, Tunna Baruah, Philip B. Allen +1

We develop a direct derivation for the primary contribution to the vibrational polarizability for molecules, clusters and other finite systems. The vibrational polarizability is th…