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Columbus—a program system for advanced multireference theory calculations

, , , , , and . Wiley Interdisciplinary Reviews: Computational Molecular Science, 1 (2): 191--199 (March 2011)
DOI: 10.1002/wcms.25

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Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations., , and . J. Comput. Chem., 23 (11): 1121-1125 (2002)Parallel computing in quantum chemistry - Message passing and beyond for a general ab initio program system., , , and . Future Gener. Comput. Syst., 11 (4-5): 445-450 (1995)Columbus—a program system for advanced multireference theory calculations, , , , , and . Wiley Interdisciplinary Reviews: Computational Molecular Science, 1 (2): 191--199 (March 2011)High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin-orbit CI and parallel CI density, , , , , , , , , and 1 other author(s). Phys. Chem. Chem. Phys., 3 (5): 664-673 (January 2001)Supporting Molecular Modeling Workflows within a Grid Services Cloud., , , , , and . ICCSA (4), volume 6019 of Lecture Notes in Computer Science, page 13-28. Springer, (2010)Foreword to the special issue for Elfi Kraka., , and . J. Comput. Chem., 45 (19, July): 1642 (2024)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)Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n = 1-7., , , , , , , and . J. Comput. Chem., 44 (6): 755-765 (March 2023)High-Level Quantum Chemical Methods for the Study of Photochemical Processes., , , and . ICCSA (1), volume 3480 of Lecture Notes in Computer Science, page 1004-1011. Springer, (2005)A comprehensive analysis of charge transfer effects on donor-pyrene (bridge)-acceptor systems using different substituents., , , , , , and . J. Comput. Chem., 44 (31): 2424-2436 (2023)