Journal
CHIMIA
Volume 63, Issue 3, Pages 140-145Publisher
SWISS CHEMICAL SOC
DOI: 10.2533/chimia.2009.140
Keywords
Density matrix renormalization group; Relativistic quantum chemistry; Spin-spin coupling
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Funding
- Schweizer Nationalfonds [200020-121870]
- ETH Zurich [TH-26 07-3]
- German Science Foundation DFG [Re1703/1-1,2]
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Quantum chemistry meets one of its greatest challenges in the field of transition-metal compounds capable of fascinating chemical transformations. Complicated electronic structure and interesting chemistry are intimately connected, and the theoretical elucidation of such molecular processes requires computational procedures that are both feasible and accurate. In this review we elaborate on our recent work in the field.
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