Back to Search Start Over

Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach.

Authors :
Kállay, Mihály
Horváth, Réka A.
Gyevi-Nagy, László
Nagy, Péter R.
Source :
Journal of Chemical Theory & Computation; 1/10/2023, Vol. 19 Issue 1, p174-189, 16p
Publication Year :
2023

Details

Language :
English
ISSN :
15499618
Volume :
19
Issue :
1
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
161272694
Full Text :
https://doi.org/10.1021/acs.jctc.2c01031