| Literature DB >> 26801024 |
Tuguldur T Odbadrakh1, Kenneth D Jordan1.
Abstract
We present the dispersion-induced dipole moments of coupled Drude oscillators obtained from two approaches. The first approach evaluates the dipole moment using the second-order Rayleigh-Schrödinger perturbation theory wave function allowing for dipole-dipole and dipole-quadrupole coupling. The second approach, based on response theory, employs an integral of the dipole-dipole polarizability of one oscillator and the dipole-dipole-quadrupole hyperpolarizability of the other oscillator over imaginary frequencies. The resulting dispersion dipoles exhibit an R(-7) dependence on the separation between the two oscillators and are connected to the leading-order C6/R(6) dispersion energy through the electrostatic Hellmann-Feynman theorem.Entities:
Year: 2016 PMID: 26801024 DOI: 10.1063/1.4940217
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488