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A massively parallel multireference configuration interaction program: The parallel COLUMBUS program.

, , , , and . Journal of Computational Chemistry, 18 (3): 430-448 (1997)

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Toward high-performance computational chemistry: II. A scalable self-consistent field program., , , , , , , , , and 9 other author(s). Journal of Computational Chemistry, 17 (1): 124-132 (1996)A massively parallel multireference configuration interaction program: The parallel COLUMBUS program., , , , and . Journal of Computational Chemistry, 18 (3): 430-448 (1997)High-Performance Computational Chemistry: Hartree-Fock Electronic Structure Calculations on Massively Parallel Processors., , , , , , , and . IJHPCA, 13 (4): 291-302 (1999)Parallel Computing in Quantum Chemistry - Message Passing and Beyond for a General Ab Initio Program System., , , and . HPCN, volume 796 of Lecture Notes in Computer Science, page 203-209. Springer, (1994)Software for computing eigenvalue bounds for iterative subspace matrix methods., , and . Comput. Phys. Commun., 170 (1): 109-114 (2005)Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system., , , and . Future Generation Comp. Syst., 11 (4-5): 445-450 (1995)An Ab Initio Theoretical Study of the CH + H2 ⇌ Ch3 * ⇌ Ch2 + H Reactions., , and . IJHPCA, 5 (1): 72-89 (1991)Toward high-performance computational chemistry: I. Scalable Fock matrix construction algorithms., , , , , , and . Journal of Computational Chemistry, 17 (1): 109-123 (1996)Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations., , and . Journal of Computational Chemistry, 23 (11): 1121-1125 (2002)Computing eigenvalue bounds for iterative subspace matrix methods., , and . Comput. Phys. Commun., 167 (2): 90-102 (2005)