HF-3c - A Corrected Small Basis Set Hartree-Fock Method

Welcome to the website of the corrected small basis set Hartree-Fock method termed HF-3c,
by Rebecca Sure and Stefan Grimme
J. Comput. Chem. 34, 1672-1685 (2013); DOI:10.1002/jcc.23317

Link to the article at JCC

HF-3c is implemented in ORCA 3.0 and can be invoked with the simple keyword !HF-3c. To perform HF-3c calculations with TURBOMOLE you will need the files provided below.


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