Heßelmann A, Görling A (2011)
Publication Type: Journal article, Review article
Publication year: 2011
Original Authors: Heßelmann A., Görling A.
Publisher: Taylor & Francis: STM, Behavioural Science and Public Health Titles / Taylor & Francis
Book Volume: 109
Pages Range: 2473-2500
Journal Issue: 21
DOI: 10.1080/00268976.2011.614282
Random-phase approximation (RPA) correlation methods based on Kohn-Sham density-functional theory and Hartree-Fock are derived using the adiabatic-connection fluctuation dissipation theorem. It is shown that the correlation energy within the adiabatic-connection fluctuation-dissipation theorem is exact in a Kohn-Sham framework while for Hartree-Fock reference states this is not the case. This shows that Kohn-Sham reference states are probably better suited to describe electron correlation for use in RPA methods than Hartree-Fock reference states. Both, Kohn-Sham and Hartree-Fock RPA methods are related to each other both by comparing the underlying correlation functionals and numerically through the comparison of total energies and reaction energies for a set of small organic molecules. Copyright © 2011 Taylor and Francis Group, LLC.
APA:
Heßelmann, A., & Görling, A. (2011). Random-phase approximation correlation methods for molecules and solids. Molecular Physics, 109(21), 2473-2500. https://dx.doi.org/10.1080/00268976.2011.614282
MLA:
Heßelmann, Andreas, and Andreas Görling. "Random-phase approximation correlation methods for molecules and solids." Molecular Physics 109.21 (2011): 2473-2500.
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