@inproceedings{11e282c2474c4953afa27069e4cd0701,
title = "Does GLPT2 offer any actual benefit over conventional HF-MP2 in the context of double-hybrid density functionals?",
abstract = "While the inclusion of the nonlocal correlation in fifth rung {"}double hybrid{"}functionals is definitely beneficial, one might rightfully ask whether its evaluation in the basis of Kohn-Sham (KS) orbitals has additional value compared to the use of Hartree-Fock reference orbitals (in a type of multilevel scheme). We have investigated this question for a very large and chemically diverse dataset, GMTKN55. We conclude that KS reference orbitals are undoubtedly beneficial, but the benefit is not as large as one might intuitively expect.",
author = "Golokesh Santra and Martin, \{Jan M.L.\}",
note = "Publisher Copyright: {\textcopyright} 2022 Author(s).; International Conference of Computational Methods in Sciences and Engineering 2021, ICCMSE 2021 ; Conference date: 04-09-2021 Through 07-09-2021",
year = "2022",
month = nov,
day = "23",
doi = "10.1063/5.0119281",
language = "الإنجليزيّة",
series = "AIP Conference Proceedings",
publisher = "American Institute of Physics",
editor = "Theodore Simos and Charalambos Tsitouras and Zacharoula Kalogiratou and Theodore Monovasilis",
booktitle = "International Conference of Computational Methods in Sciences and Engineering, ICCMSE 2021",
address = "الولايات المتّحدة",
}