Calculation of dispersion energy shifts in molecular electronic spectra using sum rules

• The use of factorization formulas due to Casimir and Polder gives exact expressions for van der Waals energies in terms of the dynamic properties of the subsystems. It is natural to approximate the appearing polarizabilities in terms of rational fractions

Nyckelord

solvation; dispersion energies; Thomas-Reiche-Kuhn sum rule; polarizabilities; Casimir-Polder factorization; Pade approximants

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)