SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Isolated clusters.

Autor: Ghosh, Swarnava1, Suryanarayana, Phanish1 phanish.suryanarayana@ce.gatech.edu
Zdroj: Computer Physics Communications. Mar2017, Vol. 212, p189-204. 16p.
Databáze: Academic Search Ultimate