Application of electronic structure methods to coupled Drude oscillators

T. T. Odbadrakh, V. Voora, K. D. Jordan

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

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.

Original languageEnglish
Pages (from-to)76-79
Number of pages4
JournalChemical Physics Letters
Volume630
DOIs
StatePublished - Apr 28 2015
Externally publishedYes

Funding

This research was carried out with the support of a grant CHE1362334 from the National Science Foundation . We acknowledge valuable discussions with Filipp Furche and Andreas Hesselmann.

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