Erratum: "Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights" [J. Chem. Phys. 142, 154123 (2015)].
نویسندگان
چکیده
منابع مشابه
Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights.
We consider several spin-unrestricted random-phase approximation (RPA) variants for calculating correlation energies, with and without range separation, and test them on datasets of atomization energies and reaction barrier heights. We show that range separation greatly improves the accuracy of all RPA variants for these properties. Moreover, we show that a RPA variant with exchange, hereafter ...
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عنوان ژورنال:
- The Journal of chemical physics
دوره 142 21 شماره
صفحات -
تاریخ انتشار 2015