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/R6 dispersion energy through the electrostatic Hellmann-Feynman theorem.
| Original language | English |
|---|---|
| Article number | 034111 |
| Journal | Journal of Chemical Physics |
| Volume | 144 |
| Issue number | 3 |
| DOIs | |
| State | Published - Jan 21 2016 |
| Externally published | Yes |
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