A low-cost four-component relativistic equation of motion coupled cluster method based on frozen natural spinors: Theory, implementation, and benchmark.
| Autor: | Surjuse, Kshitijkumar1 (AUTHOR), Chamoli, Somesh1 (AUTHOR), Nayak, Malaya K.2,3 (AUTHOR) mknayak@barc.gov.in, Dutta, Achintya Kumar1 (AUTHOR) achintya@chem.iitb.ac.in |
|---|---|
| Zdroj: | Journal of Chemical Physics. 11/28/2022, Vol. 157 Issue 20, p1-13. 13p. |
| Databáze: | Academic Search Ultimate |
| Externí odkaz: |
|