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• W2022554157 abstract "If the electron-electron repulsion in an atom or molecule were very weak, it could be treated by orbital-based perturbation theory. If this repulsion were very strong, it could be treated in a model of strict correlation. A simple interaction strength interpolation between these two limits, at fixed electron density, can describe the reality that lies between the extremes. By working entirely within a sophisticated density functional approximation, the meta-generalized gradient approximation, we find that the interpolation error is only about 0.1% for the exchange-correlation energy and about 4 kcal/mole = 0.17 eV for the atomization energy. We also find that real systems probably lie close to the radius of convergence of density functional perturbation theory." @default.
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• W2022554157 date "2001-05-10" @default.
• W2022554157 modified "2023-09-26" @default.
• W2022554157 title "EXPLORING THE ADIABATIC CONNECTION BETWEEN WEAK- AND STRONG-INTERACTION LIMITS IN DENSITY FUNCTIONAL THEORY" @default.
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• W2022554157 doi "https://doi.org/10.1142/s0217979201006197" @default.
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