Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation.

By Ivan S. Ufimtsev, Todd J. Martinez. Journal of Chemical Theory and Computation, 2009

406 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/6c867f810744d4b1d64a426cee4b9fabfbe712a6