Comparison of coupled-cluster results with a hybrid of Hartree–Fock and density functional theory
- 15 November 1992
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 97 (10), 7528-7530
- https://doi.org/10.1063/1.463977
Abstract
The performance of a hybrid of Hartree–Fock and density functional theory is tested on a set of ‘‘pathological’’ quantum chemistry problems. The predictions of this hybrid model are in qualitative agreement with coupled‐cluster results and with experiment. Given the modest computational cost of the procedure, this is an extremely encouraging development.This publication has 22 references indexed in Scilit:
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