Pooja M. Panchmatia, Biplab Sanyal, Peter M. Oppeneer. ::::Ab Initio:::: Calculations of the Electronic Structure and Magnetism of Iron Porphyrin-Type Molecules: A Benchmarking Study. In Bo Kågström, Erik Elmroth, Jack Dongarra, Jerzy Wasniewski, editors, Applied Parallel Computing. State of the Art in Scientific Computing, 8th International Workshop, PARA 2006, Umeå, Sweden, June 18-21, 2006, Revised Selected Papers. Volume 4699 of Lecture Notes in Computer Science, pages 502-509, Springer, 2006. [doi]
Abstract is missing.