Ivanov S, Lopez-Boada R, Görling A, Levy M (1998)
Publication Type: Journal article, Original article
Publication year: 1998
Original Authors: Ivanov S., Lopez-Boada R., Görling A., Levy M.
Publisher: American Institute of Physics (AIP)
Book Volume: 109
Pages Range: 6280-6286
Journal Issue: 15
DOI: 10.1063/1.477269
For helping to improve approximations to the density-functional exchange-correlation energy, E[n], and its functional derivative, the difference between the second-order component of the correlation energy, E[n], and the integral ∫dr v([n];r)n(r), involving its functional derivative, v([n];r), is given in terms of only the occupied Kohn-Sham orbitals and the exchange potential. The quantity 2E[n] is especially significant because it is the initial slope in the adiabatic connection formula for E[n]. The analytic expression for 2E[n]-∫dr v([n];r)n(r) is obtained for any spherically symmetric two-electron test density. Numerical examples are presented. © 1998 American Institute of Physics.
APA:
Ivanov, S., Lopez-Boada, R., Görling, A., & Levy, M. (1998). Closed-form expression relating the second-order component of the density functional theory correlation energy to its functional derivative. Journal of Chemical Physics, 109(15), 6280-6286. https://doi.org/10.1063/1.477269
MLA:
Ivanov, Stanislav, et al. "Closed-form expression relating the second-order component of the density functional theory correlation energy to its functional derivative." Journal of Chemical Physics 109.15 (1998): 6280-6286.
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