Toward high-performance computational chemistry: II. A scalable self-consistent field program

Robert J. Harrison, Martyn F. Guest, Ricky A. Kendall, David E. Bernholdt, Adrian T. Wong, Mark Stave, James L. Anchell, Anthony C. Hess, Rik J. Littlefield, George L. Fann, Jarek Nieplocha, Greg S. Thomas, David Elwood, Jeffrey L. Tilson, Ron L. Shepard, Albert F. Wagner, Ian T. Foster, Ewing L. Lusk, Rick Stevens. Toward high-performance computational chemistry: II. A scalable self-consistent field program. Journal of Computational Chemistry, 17(1):124-132, 1996. [doi]

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