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Application of electronic structure methods to coupled Drude oscillators

Authors :
Kenneth D. Jordan
Vamsee K. Voora
Tuguldur T. Odbadrakh
Source :
Chemical Physics Letters. 630:76-79
Publication Year :
2015
Publisher :
Elsevier BV, 2015.

Abstract

The configuration interaction, perturbation theory, coupled cluster doubles, and random phase approximation methods are applied to a system of two quantum Drude oscillators interacting through dipole–dipole coupling. It is found that the random phase approximation gives the exact excitation energies and exact interaction energy of this system even when allowing only excitations into the first excited levels of the oscillators. In contrast, to obtain the exact results from configuration interaction or coupled cluster treatments of the model requires inclusion of excitations into all accessible excited configurations.

Details

ISSN :
00092614
Volume :
630
Database :
OpenAIRE
Journal :
Chemical Physics Letters
Accession number :
edsair.doi...........8b641243eabfd3e80564a017f9674be2
Full Text :
https://doi.org/10.1016/j.cplett.2015.04.031