Literature DB >> 26801024

Dispersion dipoles for coupled Drude oscillators.

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


  4 in total

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Journal:  J Mol Model       Date:  2017-09-27       Impact factor: 1.810

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4.  Molecular Interactions Induced by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics.

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  4 in total

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