Nagy, Péter R. and Kállay, Mihály (2019) Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 15. ISSN 1549-9618
|
Text
LNO_CCSDpT_benchmark.pdf Download (3MB) | Preview |
|
|
Text
benchmarklccSI.pdf Download (279kB) | Preview |
Official URL: http://doi.org/10.1021/acs.jctc.9b00511
| Item Type: | Article |
|---|---|
| Subjects: | Q Science / természettudomány > QD Chemistry / kémia > QD02 Physical chemistry / fizikai kémia |
| Depositing User: | Dr. Péter Nagy |
| Date Deposited: | 17 Sep 2019 13:37 |
| Last Modified: | 06 Apr 2023 07:22 |
| URI: | http://real.mtak.hu/id/eprint/99695 |
Actions (login required)
![]() |
Edit Item |




