A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementation.

Autor: Poole, David1 (AUTHOR), Williams-Young, David B.2 (AUTHOR), Jiang, Andy1 (AUTHOR), Glick, Zachary L.1 (AUTHOR), Sherrill, C. David1 (AUTHOR) sherrill@gatech.edu
Zdroj: Journal of Chemical Physics. 8/7/2024, Vol. 161 Issue 5, p1-12. 12p.
Databáze: Academic Search Ultimate